SOUMA Satofumi | ![]() |
Graduate School of Engineering / Department of Electrical and Electronic Engineering | |
Associate Professor | |
Physics |
Oct. 2019 公益社団法人日本表面真空学会, 技術賞, 超ミクロンスケール系に適用可能な 新しい量子輸送シミュレーション手法の開発
May 2009 IEEE International Meeting for Future of Electron Devices, Kansai (IMFEDK), Best Paper Award, Influence of Edge Roughness on the Performance of Graphene Nano-Ribbon Devices
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Symposium
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International conference proceedings
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International conference proceedings
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We report the determination of parameters in the nearest-neighbor sp(3)d(5)s* tight-binding (TB) model for nine binary compound semiconductors which consist of Al, Ga, or In and of P, As, or Sb based on the hybrid quasi-particle self-consistent GW (QSGW) calculations. We have used the determination parameters to calculate band structures and related properties of the compounds in the bulk phase relevant to mid-infrared applications and of the type-II (InAs)/(GaSb) superlattices. For the type-II (InAs)/(GaSb) superlattices with various superlattice periods, good agreement with photoluminescence measurements on the band gaps has been confirmed. Furthermore, two aspects of the band gap properties from other calculations have been reproduced: the band gap energies rising up to some superlattice periods and shrinking beyond them asymptotically. In both the bulk phase and the superlattices, erroneous flat valence bands have appeared within the nearest-neighbor sp(3)s* TB model. The present TB model has eliminated these artifacts, which are potential obstacles to design advanced superlattices. (C) 2018 Optical Society of America under the terms of the OSA Open Access Publishing Agreement
Last, OPTICAL SOC AMER, Jun. 2018, OPTICAL MATERIALS EXPRESS, 8 (6), 1569 - 1584, English[Refereed]
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We present a numerical study on the effect of laser light irradiation on the electronic transport through single layer graphene. We employed the wave packet quantum dynamics method to take into account the effect of laser light with circular polarization irradiated only through the finite channel region of graphene device. Our simulations have shown that the transmission through graphene can be switched off by irradiating the circularly polarized laser light, in a way consistent with the generation of dynamical band gap by the circularly polarized light predicted previously. It has also been suggested that the presence of irradiation induced remote valley away from the Dirac point importantly influences the current switching.
Institute of Electrical and Electronics Engineers Inc., 25 Oct. 2017, International Conference on Simulation of Semiconductor Processes and Devices, SISPAD, 2017-, 213 - 216, English[Refereed]
International conference proceedings
We present a numerical study on the effect of mechanical strain on the electron mobility and the averaged electron velocity of graphene, where the graphene is assumed to be suspended and the phonon scattering is the dominant scattering mechanism. By employing the tight-binding formalism to describe the electronic band structure in the presence of strain and the Boltzmann transport equation to describe the non-equilibrium carrier transport in the presence of phonon scattering, the electron mobility was found to decrease nonlinearly with increasing the strain.
Institute of Electrical and Electronics Engineers Inc., 25 Oct. 2017, International Conference on Simulation of Semiconductor Processes and Devices, SISPAD, 2017-, 209 - 212, English[Refereed]
International conference proceedings
We develop a powerful simulation method that can treat electronic transport in a super-micron-scale open system with atomic vibration at finite temperature. As an application of the developed method to realistic materials, we simulate electronic transport in metallic single-walled carbon nanotubes from nanometer scale to micrometer scale at room temperature. Based on the simulation results, we successfully identify two different crossovers, namely, ballistic to diffusive crossover and coherent to incoherent crossover, simultaneously and with equal footing, from which the mean free path and the phase coherence length can be extracted clearly. Moreover, we clarify the scaling behavior of the electrical resistance and the electronic current in the crossover regime.
AMER PHYSICAL SOC, Jul. 2017, PHYSICAL REVIEW B, 96 (3), 035428, English[Refereed]
Scientific journal
We report the determination of parameters for the nearest-neighbor sp(3)s* tight-binding (TB) model for GaP, GaAs, GaSb, InP, InAs, and InSb at 0, 77, and 300K based on the hybrid quasi-particle self-consistent GW (QSGW) calculation and their application to a type II (InAs)/(GaSb) superlattice. The effects of finite temperature have been incorporated empirically by adjusting the parameter for blending the exchange-correlation terms of the pure QSGW method and local density approximation, in addition to the usage of experimental lattice parameters. As expected, the TB band gap shrinks with temperature and asymptotically with superlattice period when it is large. In addition, a bell curve in the band gap in the case of small superlattice period and slight and remarkable anisotropy in effective masses of electron and hole, both predicted by the hybrid QSGW method, respectively, are reproduced. Published by AIP Publishing.
Last, AMER INST PHYSICS, Jun. 2017, JOURNAL OF APPLIED PHYSICS, 121 (23), English[Refereed]
Scientific journal
Modulation of the thermal properties of graphene due to strain-induced phononic band engineering was theoretically investigated by first-principles calculations based on the density functional theory. The high-energy phonon modes are found to exhibit softening owing to the strain, whereas a low-energy acoustic mode (out-of-plane mode) exhibits hardening. Moreover, the dispersion relation of the out-of-plane mode associated with the strain essentially changes from quadratic (∝ k2) to linear (∝ k). Accordingly, the temperature dependence of the low-temperature specific heat also changes from linear (∝ T) to quadratic (∝ T2).
Institute of Physics, 2017, Jpn. J. Appl. Phys, 56 (2), 025102 - 25102, English[Refereed]
Scientific journal
金属CNTはLSIの銅配線の代替材料として注目を集めている。CNT配線の長さは、ナノ~マイクロメートル程度であるが、これらを包括的に扱える計算手法は存在せず、CNT配線の精密設計が困難な状況である。本研究では、100万原子を超える系にも適応可能な電子輸送シミュレータを開発し、ナノ~マイクロメートルの長さのCNTの電子輸送をシームレスに取り扱い、CNTの運動量緩和長と位相緩和長の精密評価に成功した。
The Surface Science Society of Japan, 2016, Abstract of annual meeting of the Surface Science of Japan, 36, 353 - 353, Japanese[Invited]
We propose a lateral spin-blockade device that uses the interband Rashba effect in a symmetric double quantum well (QW), where the Rashba effect in the conventional sense vanishes because of its inversion symmetry. The interband Rashba effect manifests itself in the off-diagonal term (represented by the parameter eta) in the QW space using the bonding and antibonding basis [Esmerindo Bernardes, John Schliemann, Minchul Lee, J. Carlos Egues, and Daniel Loss, Phys. Rev. Lett. 99, 076603 (2007)]. In such a system, spin selection is possible by tuning the device length, gate electric field and in-plane magnetic field. We particularly show illustrative mechanisms using a one-dimensional model with k = (k(F), 0), where the selected spin can be blocked completely in the presence of the in-plane magnetic field. While the inclusion of the finite k(y) and/or the gate electric field deteriorates the spin polarization P, finite values remain for P (P>11%). Our proposal can also be regarded as an effective way of enhancing a variation of the Rashba-Edelstein effect, the generation of bulk spin polarization by electric current, based on semiconductor band engineering technology.
Lead, AMER PHYSICAL SOC, Sep. 2015, PHYSICAL REVIEW APPLIED, 4 (3), 034010 1 - 9, English[Refereed]
Scientific journal
We present a numerical study of the effect of in-plane uniaxial strain on the photoconductivity of graphene, where special attention is paid to the dependences of the photoconductivity on the direction of the strain, the strength of the strain, and the polarization direction in lineally polarized light irradiated perpendicularly to graphene. Our calculations showed that the anisotropic feature of the photoconductivity predicted for unstrained graphene is strongly modulated by applying strain. In particular, it was found that the estimation of anisotropy factors, defined by the ratio between the diagonal conductivities along the strain direction for two different light polarizations theta(p) = 0 and pi/2 relative to the strain axis, enables us to not only determine the strain ratio but also obtain information about the crystal orientation along which the strain is applied. (C) 2014 The Japan Society of Applied Physics
IOP PUBLISHING LTD, Nov. 2014, JAPANESE JOURNAL OF APPLIED PHYSICS, 53 (11), 115103 1 - 7, English[Refereed]
Scientific journal
We present a numerical study on the performance of strained graphene-based field-effect transistors. A local strain less than 10% is applied over a central channel region of the graphene to induce the shift of the Dirac point in the channel region along the transverse momentum direction. The left and the right unstrained graphene regions are doped to be either n-type or p-type. By using the atomistic tight-binding model and a Green's function method, we predict that the gate voltage applied to the central strained graphene region can switch the drain current on and off with an on/off ratio of more than six orders of magnitude at room temperature. This is in spite of the absence of a bandgap in the strained channel region. Steeper subthreshold slopes below 60mV/decade are also predicted at room temperature because of a mechanism similar to the band-to-band tunneling field-effect transistors. (C) 2014 AIP Publishing LLC.
AMER INST PHYSICS, May 2014, APPLIED PHYSICS LETTERS, 104 (21), 213505 1 - 4, English[Refereed]
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We show theoretically that pure spin current can be generated in zigzag edged graphene nanoribbons through the adiabatic pumping by edge selective pumping potentials. The origin of such pure spin current is the spin splitting of the edge localized states, which are oppositely spin polarized at opposite edges. In the proposed device, each edge of the ribbon is covered by two independent time-periodic local gate potentials with a definite phase difference, inducing the edge spin polarized current. When the pumping phase difference is opposite in sign between two edges, the total charge currents is zero and the pure edge spin current is generated. (C) 2014 AIP Publishing LLC.
AMER INST PHYSICS, May 2014, APPLIED PHYSICS LETTERS, 104 (18), 108103 1 - 4, English[Refereed]
Scientific journal
We propose a simplified theoretical model to analyze the absorption coefficients in quantum dot intermediate band solar cell (QD-IBSC) structure. Our theoretical model, based on the multiband tight-binding Hamiltonian including the conduction, valence, and the intermediate band, can capture some essential features in the actual QD-IBSC such as the absorption path dependence of the absorption strength and the line shape of the absorption spectrum in spite of its simplicity. The main feature of this model is its ability to be applied to any QD-IBSC system regardless of the geometrical parameters (QDs shapes and spacing) or the base materials by changing the relevant coupling parameters. The proposed simplified should be of useful for the semi-quantitative understanding and modeling of QD-IBSC.
IEICE-INST ELECTRONICS INFORMATION COMMUNICATIONS ENG, 2014, IEICE ELECTRONICS EXPRESS, 11 (17), 1 - 11, English[Refereed]
Scientific journal
We present a theoretical study on the temporal current fluctuation in nanowire FET caused by the presence of a single gate oxide trap through the Coulomb interaction. Our calculations based on the scattering theoretical formulation of the current noise showed that the presence of the trap level in the gate insulator gives rise to the enhancement of the noise at a specific gate voltage. The peak position of the noise is related to the capacitive coupling strengths of the trap to the channel and the gate electrode, suggesting that the current noise can be used to measure such physical quantifies.
IEEE, 2014, 2014 INTERNATIONAL CONFERENCE ON SIMULATION OF SEMICONDUCTOR PROCESSES AND DEVICES (SISPAD), 201 - 204, English[Refereed]
International conference proceedings
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Research institution
We study numerically the effect of various types of in-plane strain on the electronic transport property in the single layer graphene connected to two metallic electrodes, with the special attention to the dependences on the gate voltage, channel length, the type of strain, and the strength of the strain. Our calculations have shown that the combination of the shear and the armchair-directional strain can be used to obtain a clear threshold behavior in the gate voltage dependence of the current as expected from the previously reported strain induced bandgap opening. Moreover, we predict the strain induced increase of the current density for small strain regime. © 2013 Springer Science+Business Media New York.
Jun. 2013, Journal of Computational Electronics, 12 (2), 170 - 174, English[Refereed]
Scientific journal
We study computationally the electronic transport properties through mechanically squashed zigzag carbon nanotubes (CNTs) under the uniform electric field perpendicular to the tube axis, based on the tight-binding molecular dynamics method for the structural analysis and the Landauer-Buttiker's formalism for the transport analysis. Our simulations show that the band gaps of the zigzag carbon nanotubes exhibit nonlinear decrease as increasing the deformation ratio in the presence of the external perpendicular electric field, in contrast to the case of zero electric field, where the band gap decreases linearly as increasing the deformation ratio. Such properties allow us to tune the sensitivity of the electromechanical response in CNT devices by applying the external electric field. (C) 2012 American Institute of Physics. [http://dx.doi.org/10.1063/1.4768449]
AMER INST PHYSICS, Dec. 2012, JOURNAL OF APPLIED PHYSICS, 112 (11), 114328 - 1-114328-5, English[Refereed]
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International conference proceedings
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International conference proceedings
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We recently determined the values of intrinsic spin-orbit (SO) parameters for In(0.52)Al(0.48)AS/In0.53Ga0.47As(10 nm)/In0.52Al0.48As (InGaAs/InAlAs) quantum wells (QW), lattice-matched to (001) InP, from the weak localization/antilocalization analysis of the low-temperature magneto-conductivity measurements [I]. We have then studied the sub-band energy spectra for the InGaAs/InAlAs double QW system from beatings in the Shubnikov de Haas (SdH) oscillations. The basic properties obtained here for the double QW system provides useful information for realizing nonmagnetic spin-filter devices based on the spin-orbit interaction [2].
IEICE-INST ELECTRONICS INFORMATION COMMUNICATIONS ENG, May 2012, IEICE TRANSACTIONS ON ELECTRONICS, E95C (5), 770 - 776, English[Refereed]
Scientific journal
We study numerically the effect of axial strain on the band structure of semiconducting carbon nanotubes (CNTs) and the transport characteristics of CNT based band-to-band tunneling field effect transistors (CNT-TFETs). By making use of empirical tight-binding method and the non-equilibrium Green's function formalism, we found that applying the axial tensile strain can dramatically suppresses the off-leakage current in CNT-TFETs, and makes the subthreshold swing steeper. Such improvement of the device performance can be understood qualitatively to be caused by the band gap modulation in the CNT channel region. © 2012 IEEE.
2012, IMFEDK 2012 - 2012 International Meeting for Future of Electron Devices, Kansai, 138 - 139, English[Refereed]
International conference proceedings
Electronic transport in InAs/Si heterojunction nanowire (NW) band-to-band tunneling field-effect transistors (TFETs) is studied numerically using the non-equilibrium Green's function formalism based on the sp 3 s* d 5 tight-binding Hamiltonian. Our analyses have shown that TFETs based on the InAs/Si heterojunction NW have superior properties compared with those based on the Si and InAs homojunction NWs in obtaining the higher on-current, lower leakage current as well as the steeper subthreshold swing. The physical origin behind such superiority can be successfully understood by analyzing the complex band structures and the local densities of states. © 2012 IEEE.
2012, IMFEDK 2012 - 2012 International Meeting for Future of Electron Devices, Kansai, 108 - 109, English[Refereed]
International conference proceedings
We predict an anomalous 0-pi transition in Josephson junctions with a ferromagnetic-insulator (FI) barrier. Previously it was found that the ground state of such junctions alternates between 0 and pi states when the thickness of FI is increasing by a single atomic layer. By solving the Bogoliubov de-Gennes equation and using the Furusaki-Tsukada formula, we show that similar 0-pi transition can be also induced by increasing temperature T. Therefore the existence of p state can be experimentally confirmed by simply observing the nonmonotonic T dependence of the Josephson critical current. (C) 2012 Published by Elsevier B.V. Selection and/or peer-review under responsibility of ISS Program Committee
ELSEVIER SCIENCE BV, 2012, ADVANCES IN SUPERCONDUCTIVITY XXIV, 27, 308 - 311, English[Refereed]
International conference proceedings
We show computationally that the current-voltage characteristics of the zigzag-edged graphene nanoribbon (ZGNR) with the even width exhibit remarkable current saturation behavior in spite of the absence of the bandgap. Mechanism of such current-saturation behavior can be understood to be originated from the symmetries of the wavefunctions corresponding to the edge states in ZGNR. We further demonstrate that the current-voltage characteristics of ZGNR can be drastically changed even by the presence of a single lattice vacancy, with the strong dependence on the position of the vacancy. The origin of such properties is intuitively understood by analyzing the transmission probabilities through such systems.
SPRINGER, Jun. 2011, JOURNAL OF COMPUTATIONAL ELECTRONICS, 10 (1-2), 35 - 43, English[Refereed]
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Based on the atomistic tight-binding method with intra-atomic spin-orbit coupling, we study computationally the effect of atomic scale interface asymmetry on the spin-polarization of transmission peaks through InAs/AlSb double barrier resonant tunneling heterostructures. Our calculations show the significant anisotropic zero-magnetic-field spin-splitting of the resonant transmission peak even in the absence of the external electric field, demonstrating the importance of the barrier material and the atomic scale detail of the hetero interfaces on the spin-splitting. Moreover, our calculations have predicted that such interface induced anisotropy of the spin-splitting can be cancelled out by applying the external electric field, leading to the Dresselhaus-type isotropic spin-splitting behavior.
KOREAN PHYSICAL SOC, May 2011, JOURNAL OF THE KOREAN PHYSICAL SOCIETY, 58 (5), 1251 - 1255, English[Refereed]
Scientific journal
In this paper we show the effectiveness and powerfulness of a pseudospectral method (PSM) with newly developed bridge-functions, which ensure the continuity of physical quantities, for the solution of the 3D Schrödinger equation, Poisson's equation, in addition, non-equilibrium Green's function (NEGF) on equal footing with high accuracy and negligible computational overheads. By comparing with the results of the conventional finite difference method (FDM) with same numbers of mesh, the present method is found to be 60 times faster with higher accuracy. © 2011 IEEE.
2011, International Conference on Simulation of Semiconductor Processes and Devices, SISPAD, 311 - 314, English[Refereed]
International conference proceedings
Band-to-band tunneling (BTBT) field-effect transistors (FETs) is one of the promisng strategies in reducing the leakage current and improving the subthreshold characteristics compared with the conventional metal-oxide- semiconductor field-effect transistors (MOSFETs). However, BTBT-FETs have an intrinsic drawback of small on-current. We explore numerically the possibility of using the InAs/Si heterojunction nanowire (NW) to resolve such intrinsic difficulty in BTBT-FETs, and found that the use of the InAs/Si heterojunction nanowire is advantageous in increasing the on-current compared with the Si homojunction nanowires. © 2011 IEEE.
2011, International Conference on Simulation of Semiconductor Processes and Devices, SISPAD, 227 - 230, English[Refereed]
International conference proceedings
We study the electronic structure of vertically stacked cubic quantum dots for the purpose of exploring the efficient design of quantum dot intermediate solar cells. We analyzed the dependence of the miniband levels and widths on the number of quantum dots as well as the inter-dot spacing by combining the finite element method and tight-binding method. Regarding the calculated energy band structure, the detailed balance model has been employed and the conversion efficiency has been estimated to be 56.3%. © 2011 IEEE.
2011, IMFEDK 2011 - 2011 International Meeting for Future of Electron Devices, Kansai, 36 - 37, English[Refereed]
International conference proceedings
Intermediate band solar cells (IBSCs) have been proposed as highly efficient third generation photovoltaic devices. Quantum dot (QD) arrays produce mini-bands that are separated by a region of zero density of states from other states in the conduction band. Additional absorption from the valence band to the IB and the IB to the conduction band allows two photons with energies below the energy gap to be harvested in generating one electron-hole pair. We present a theoretical study of the electronic and optical properties of the IB formed by an InAs/GaAs QD arrays. The calculations are based on effective-mass approximation and finite element method. Theoretical results of the mini-band width variation with the period of the QD arrays in the z direction are presented. © 2011 IEEE.
2011, IMFEDK 2011 - 2011 International Meeting for Future of Electron Devices, Kansai, 114 - 115, English[Refereed]
International conference proceedings
We study the effect of the various types of strain on the electronic band structure and the transport characteristics in graphene. It has been found that the combination of shear and armchair uniaxial deformation is an effective way to open the band gap, meaning the efficient controllability of the electronic current through graphene © 2011 IEEE.
2011, IMFEDK 2011 - 2011 International Meeting for Future of Electron Devices, Kansai, 126 - 127, English[Refereed]
International conference proceedings
We present a study on the atomistic simulation of the spin-polarized transmissions through InAs/AlSb double barrier resonant tunneling heterostructures. By making use of the atomistic sp3s* tight binding Hamiltonian including the intra-atomic spin-orbit interaction and the recursive Green's function method, we obtain the significant anisotropic zero-magnetic-field spin-splitting of the resonant transmission peak in the absence of the external electric field, demonstrating the importance of the barrier material and the atomic scale detail of the hetero interfaces on the spin-splitting.
ELSEVIER SCIENCE BV, 2010, PROCEEDINGS OF THE 14TH INTERNATIONAL CONFERENCE ON NARROW GAP SEMICONDUCTORS AND SYSTEMS, 3 (2), 1287 - 1290, English[Refereed]
International conference proceedings
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Scientific journal
We study the spin filtering characteristics of the zigzag-edged graphene nanoribbon spin filtering device, applying the spin-density functional tight-binding method and the non-equilibrium Green's function method. Our simulations have shown that the spin filtering effect can be controlled by applying the side-gate voltages that effectively induce the transverse electric fields. Influence of an edge lattice vacancy on the spin-filtering effect is also discussed.
IEEE, 2009, IWCE-13: 2009 13TH INTERNATIONAL WORKSHOP ON COMPUTATIONAL ELECTRONICS, pp. 81-84, 81 - +, English[Refereed]
International conference proceedings
The silicon-based planar CMOS technology is expected to face fundamental limits in the near future, and therefore, new types of nanoscale devices are being investigated aggressively. To understand the device physics and assess their performance limits, new types of simulation techniques considering quantum mechanical phenomena, carrier's ballistic transport and atomistic effects are also needed. In this paper, we present our recent approaches toward the quantum and atomistic transport modeling, and make a performance projection of emerging nano-MOS transistors employing new device structures and new channel materials. ©The Electrochemical Society.
2009, ECS Transactions, 19 (4), 211 - 220, English[Refereed]
International conference proceedings
The direct gate leakage current in double-gate n-type MOSFETs with physical gate lengths of 10 nm is investigated. This work uses a combination of a two-dimensional non-equilibrium Green's function (NEGF) based upon a real-space expansion method and Poisson's equation, which are solved self-consistently. In the conventional 1D analysis of the gate leakage current, an optical potential or an imaginary energy has been necessary to broaden the energy level in the triangular quantum well for reduction of computational costs. It is found that, however, different from the results in the conventional 1D analysis, peaks in the current density energy spectra, equivalently the energy levels, are broadened even under zero drain bias condition due to the quantum mechanical scatterings in the presence of the source and drain electrodes. This fact proves that the optical potential used in the conventional 1D simulation merely models the effect of the existence of the electrodes and the 2D analysis gives more sound results.
IEEE, 2009, 2009 INTERNATIONAL CONFERENCE ON SIMULATION OF SEMICONDUCTOR PROCESSES AND DEVICES, 297 - 300, English[Refereed]
International conference proceedings
We present a numerical study of the current-voltage characteristics in zigzag-edged graphene nano-ribbon (Z-GNR) devices. Our calculations employing the non-equilibrium Green's function method and the density-functional tight-binding method show that the Z-GNR with transverse symmetry can exhibit remarkable current saturation behavior in spite of the absence of the bandgap. We further demonstrate that the saturation current can be controlled by the additional doping in the channel region. The mechanism of such current saturation can be explained in terms of the symmetry of the wavefunctions corresponding to the conduction and the valence bands in Z-GNR.
SPRINGER, Sep. 2008, JOURNAL OF COMPUTATIONAL ELECTRONICS, 7 (3), 390 - 393, English[Refereed]
Scientific journal
We evaluate analytically and numerically the density of states (DOS) and the heat capacity in a spherical quantum dot formed by a spherical thin barrier. The control of the spherical barrier thickness or the potential barrier height is found to cause the dimensional transition from the three-dimensional (3D) behavior to the quasi-zero dimensional (Q0D) behavior in the DOS and the heat capacity. When the barrier is thick enough, the DOS shows the Q0D-like behavior but when the barrier is thin enough to allow electrons to tunnel through it, the temperature dependence of the heat capacity exhibits quite a distinct behavior depending on the electron density. Explicit numerical plots are given in the low density regime.
WORLD SCIENTIFIC PUBL CO PTE LTD, Jun. 2008, INTERNATIONAL JOURNAL OF MODERN PHYSICS B, 22 (15), 2373 - 2382, English[Refereed]
Scientific journal
We present a theoretical study of the density of states (DOS) and the heat capacity in a spherical quantum dot formed by a spherical thin barrier. The control of the spherical barrier thickness or the potential barrier height is found to cause the dimensional transition from the three-dimensional (3D) behavior to the quasi-zero dimensional (Q0D) behavior in the DOS and the heat capacity. When the barrier is thick enough the DOS shows the Q0D-like behavior but when the barrier is thin enough to allow electrons to tunnel through it, the temperature dependence of the heat capacity exhibits quite distinct behavior depending on the electron density. (C) 2007 Elsevier B.V. All rights reserved.
ELSEVIER SCIENCE BV, Apr. 2008, PHYSICA E-LOW-DIMENSIONAL SYSTEMS & NANOSTRUCTURES, 40 (6), 2198 - 2200, English[Refereed]
Scientific journal
Aggressive scaling of devices has reduced device dimensions into nanometer scale in which the single-band effective mass model is inadequate to simulate quantum transport in such devices. Thus it motivates the use of more realistic full band structures in quantum transport simulations. In this study we perform the analysis of multiband quantum transport in nanoscale devices based on a non-equilibrium Green's function (NEGF) formalism coupled self-consistently with the Poisson equation. The empirical nearest neighbor sp(3)s* tight binding approximation (TBA), where the couplings among atomic orbitals of the host crystal are taken into account, is employed to obtain a realistic multiband structure. The effects of non-parabolic bandstructure as well as anisotropic features of Si are studied and analyzed. Our multiband simulation results on potential and current profiles show significant differences, especially in higher applied bias, with those of conventional effective mass model where only parabolic singleband is considered in the simulation.
SPRINGER, Feb. 2008, JOURNAL OF MATERIALS SCIENCE-MATERIALS IN ELECTRONICS, 19 (2), 107 - 110, English[Refereed]
Scientific journal
This paper reports the calculation of quantum electron transport in double-gate metal oxide semiconductor field effects transistors (MOSFETs) with uniaxially strained silicon channel. The calculation is formulated based on multiband non-equilibrium Green's function (NEGF) method coupled self-consistently with the Poisson equation. The empirical sp(3)s* tight binding approximation (TBA) model with nearest neighbor coupling is employed to obtain more realistic band structure in the formulation. We compare the carrier transport characteristics of simulated MOSFETs with strained channel to those of without strain. The simulation results show that the presence of uniaxially strain induce the current enhancement in the devices. (C) 2008 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.
WILEY-V C H VERLAG GMBH, 2008, PHYSICA STATUS SOLIDI C - CURRENT TOPICS IN SOLID STATE PHYSICS, VOL 5, NO 1, 5 (1), 74 - 77, English[Refereed]
International conference proceedings
The analysis of multiband quantum transport simulation in double-gate metal oxide semiconductor field effects transistors (DG-MOSFETs) is performed based on a non-equilibrium Green's function (NEGF) formalism coupled self-consistently with the Poisson equation. The empirical sp(3)s. tight binding approximation (TBA) with nearest neighbor coupling is employed to obtain a realistic multiband structure. The effects of non-parabolic bandstructure as well as anisotropic features of Si are studied and analyzed. As a result, it is found that the multiband simulation results on potential and current profiles show significant differences, especially in higher applied bias, from those of conventional effective mass model.
IEICE-INST ELECTRONICS INFORMATION COMMUNICATIONS ENG, Jan. 2008, IEICE TRANSACTIONS ON ELECTRONICS, E91C (1), 105 - 109, English[Refereed]
Scientific journal
Gate-leakage current from quasi-bound states in highly scaled metal-oxide-semiconductor devices has been investigated by using a non-equilibrium Green's function method. We have taken account of the realistic band structure of Si with anisotropic effective masses. This study also presents a model for the efficient simulation of gate-leakage current with open boundaries where no escape time or life time has been assumed contrary to the conventional analysis [1]. We have added optical potential to the on-site energies only above the conduction band edge in the substrate electrode. The optical potential induces energy broadening in the triangle potential to calculate the density of states properly.
IEEE, 2008, SISPAD: 2008 INTERNATIONAL CONFERENCE ON SIMULATION OF SEMICONDUCTOR PROCESSES AND DEVICES, pp. 221-224, 221 - 224, English[Refereed]
International conference proceedings
This paper reports the calculation of quantum electron transport in double-gate metal oxide semiconductor field effects transistors (MOSFETs) with uniaxially strained silicon channel. The calculation is formulated based on multiband non-equilibrium Green's function (NEGF) method coupled self-consistently with the Poisson equation. The empirical sp3 s* tight binding approximation (TBA) model with nearest neighbor coupling is employed to obtain more realistic band structure in the formulation. We compare the carrier transport characteristics of simulated MOSFETs with strained channel to those of without strain. The simulation results show that the presence of uniaxially strain induce the current enhancement in the devices. © 2008 WILEY-VCH Verlag GmbH & Co. KGaA.
2008, Physica Status Solidi (C) Current Topics in Solid State Physics, 5 (1), 74 - 77, English[Refereed]
International conference proceedings
The formulation and calculation of quantum electron transport in double-gate metal oxide semi-conductor field effect transistors (DGMOSFETs) is presented based on multiband non-equilibrium Green's function (NEGF) formalism. In the formulation we employ the empirical sp(3)s(*) tight-binding approximation (TBA) with nearest neighbor coupling to obtain a realistic fullband structure. The multiband NEGF is performed self-consistently with the Poisson equation to acquire the effect of space charge density. We compare the non-parabolicity feature of bandstructure with that of parabolic effective mass model. Due to the difference in energy dispersion relation, we have found that the results of multiband simulations are quite different with those based on conventional effective mass model. (c) 2007 Elsevier B.V. All rights reserved.
ELSEVIER SCIENCE BV, Dec. 2007, PHYSICA E-LOW-DIMENSIONAL SYSTEMS & NANOSTRUCTURES, 40 (2), 245 - 248, English[Refereed]
Scientific journal
International conference proceedings
International conference proceedings
We introduce the concept of bond spin currents, which describe the spin transport between two sites of the lattice model of a multiterminal spin-orbit (SO) coupled semiconductor nanostructure, and express them in terms of the spin-dependent nonequilibrium (Keldysh) Green functions for the Landauer setup where the nanostructure is attached to many semi-infinite ideal leads terminating in macroscopic thermalizing reservoirs. This formalism is applied to obtain the spatial distribution of microscopic spin currents in a clean phase-coherent two-dimensional electron (2DEG) gas with the Rashba type of SO coupling attached to four external leads. Together with the corresponding spatial profiles of the steady-state spin density, such visualization of the phase-coherent spin flow allow us to resolve several key issues for the understanding of microscopic mechanisms which generate pure spin Hall currents in the transverse leads of ballistic devices due to the flow of unpolarized charge current through their longitudinal leads: (i) while bond spin currents are nonzero locally within the SO coupled sample and neighboring region of the leads even in equilibrium (when all leads are at the same potential), the total spin currents obtained by summing the bond spin currents over any cross section within the leads are zero, so that no spin is actually transported by such equilibrium spin currents; (ii) when the device is brought into a nonequilibrium state (supporting steady-state charge current) by applying the external voltage difference between its longitudinal leads, only the wave functions (or Green functions) around the Fermi energy contribute to the total spin current through a given transverse cross section; (iii) the total spin Hall current is not conserved within the SO coupled region-however, it becomes conserved and physically well-defined quantity in the ideal leads where it is, furthermore, equal to the spin current obtained within the multiprobe Landauer-Buttiker scattering formalism in linear response regime. The spatial profiles of the local spin currents and stationary flowing spin densities crucially depend on whether the sample is smaller or greater than the spin precession length, thereby demonstrating its essential role as the characteristic mesoscale for the spin Hall effect in ballistic multiterminal semiconductor nanostructures. Although the static spin-independent disorder reduces the magnitude of the total spin current in the leads, the bond spin currents and spin densities remain nonzero throughout the whole diffusive 2DEG sample.
AMER PHYSICAL SOC, Feb. 2006, PHYSICAL REVIEW B, 73 (7), English[Refereed]
Scientific journal
[Refereed]
Scientific journal
We predict that unpolarized charge current driven through the longitudinal leads attached to ballistic quantum-coherent two-dimensional electron gas (2DEG) in semiconductor heterostructure will induce a pure spin current, which is not accompanied by any net charge flow, in the transverse voltage probes. Its magnitude can be tuned by the Rashba spin-orbit (SO) coupling and, moreover, it is resilient to weak spin-independent scattering off impurities within the metallic diffusive regime. While the polarization vector of the spin transported through the transverse leads is not orthogonal to the plane of 2DEG, we demonstrate that only two components (out-of-plane and longitudinal) of the transverse spin current are signatures of the spin Hall effect in four-probe Rashba spin-split semiconductor nanostructures. The linear response spin Hall current, obtained from the multiprobe Landauer-Buttiker scattering formalism generalized for quantum transport of spin, is the Fermi-surface determined nonequilibrium quantity whose scaling with the 2DEG size L reveals the importance of processes occurring on the spin precession mesoscale L-SO (on which spin precesses by an angle pi)-the out-of-plane component of the transverse spin current exhibits quasioscillatory behavior for L less than or similar to L-SO (attaining the maximum value in 2DEGs of the size L-SO x L-SO), while it reaches the asymptotic value in the macroscopic regime L > L-SO. Furthermore, these values of the spin Hall current can be manipulated by the measuring geometry defined by the attached leads.
AMER PHYSICAL SOC, Aug. 2005, PHYSICAL REVIEW B, 72 (7), English[Refereed]
Scientific journal
We study the ferromagnetism in III-V diluted magnetic semiconductor (DMS) quantum-wells theoretically and numerically taking into account the occupation of multiple sub-bands by holes in quantum wells. Starting from the mean-field theory of carrier-induced ferromagnetism in III-V DMS along with the exchange-correlation interaction of holes within the local spin density approximation, we found that the ferromagnetic transition temperature T-c of DMS quantum-wells exhibits step-function-like dependence on the hole density, reflecting the quasi-two-dimensional nature of systems. Moreover, the temperature dependence of the spin polarization shows quite distinct characteristics depending on the hole density.
WORLD SCIENTIFIC PUBL CO PTE LTD, Jul. 2005, INTERNATIONAL JOURNAL OF MODERN PHYSICS B, 19 (19), 3151 - 3160, English[Refereed]
Scientific journal
We demonstrate that the flow of a longitudinal unpolarized current through a ballistic two-dimensional electron gas with Rashba spin-orbit coupling will induce a nonequilibrium spin accumulation which has opposite signs for the two lateral edges and is, therefore, the principal observable signature of the spin Hall effect in two-probe semiconductor nanostructures. The magnitude of its out-of-plane component is gradually diminished by static disorder, while it can be enhanced by an in-plane transverse magnetic field. Moreover, our prediction of the longitudinal component of the spin Hall accumulation, which is insensitive to the reversal of the bias voltage, offers direct evidence to differentiate experimentally between the extrinsic, intrinsic, and mesoscopic spin Hall mechanisms.
AMERICAN PHYSICAL SOC, Jul. 2005, PHYSICAL REVIEW LETTERS, 95 (4), English[Refereed]
Scientific journal
By viewing current in the detecting lead of a spintronic device as being an ensemble of flowing spins corresponding to a mixed quantum state, where each spin itself is generally described by an improper mixture generated during the transport where it couples to other degrees of freedom due to spin-orbit (SO) interactions or inhomogeneous magnetic fields, we introduce the spin-density operator associated with such current and express it in terms of the spin-resolved Landauer transmission matrix of the device. This formalism, which provides a complete description of coupled spin-charge quantum transport in open finite-size systems attached to external probes, is employed to understand how initially injected pure spin states, comprising fully spin-polarized current, evolve into the mixed ones corresponding to a partially polarized current. We analyze particular routes that diminish spin coherence (signified by decay of the off-diagonal elements of the current spin-density matrix) in two-dimensional-electron-gas-based devices due to the interplay of the Rashba and/or Dresselhaus SO coupling and (i) scattering at the boundaries or lead-wire interface in ballistic semiconductor nanowires; or (ii) spin-independent scattering off static impurities in both weakly and strongly disordered nanowires. The physical interpretation of spin decoherence in the course of multichannel quantum transport in terms of the entanglement of spin to an effectively zero-temperature "environment" composed of open orbital conducting channels offers insight into some of the key challenges for spintronics: controlling decoherence of transported spins and emergence of partially coherent spin states in all-electrical spin manipulation schemes based on the SO interactions in realistic semiconductor structures. In particular, our analysis elucidates why operation of both ballistic and nonballistic spin-field-effect transistors, envisaged to exploit Rashba and Rashba+Dresselhaus SO coupling, respectively, would demand single-channel transport as the only setup ensuring complete suppression of (D'yakonov-Perel'.-type) spin decoherence.
AMER PHYSICAL SOC, May 2005, PHYSICAL REVIEW B, 71 (19), English[Refereed]
Scientific journal
We propose an all-electrical nanostructure where pure spin current is induced in the transverse voltage probes attached to a quantum-coherent ballistic one-dimensional ring when unpolarized charge current is injected through its longitudinal leads. Tuning of the Rashba spin-orbit coupling in a semiconductor heterostructure hosting the ring generates quasiperiodic oscillations of the predicted spin-Hall current due to spin-sensitive quantum-interference effects caused by the difference in the Aharonov-Casher phase accumulated by opposite spin states. Its amplitude is comparable to that of the spin-Hall current predicted for finite-size (simply connected) two-dimensional electron gases, while it gets reduced gradually in wide two-dimensional rings or due to spin-independent disorder.
AMER PHYSICAL SOC, Mar. 2005, PHYSICAL REVIEW LETTERS, 94 (10), English[Refereed]
Scientific journal
The control of the spherical barrier thickness or height is found to cause the dimensional transitions from the three dimensional (3D) behavior to the quasi-zero dimensional (Q0D) behavior in the density of states (DOS) and the heat capacity. When the barrier is thick enough such that the DOS shows the Q0D-like signature but is still thin enough to allow electrons to tunnel it, the temperature dependence of the heat capacity exhibits quite distinct behavior depending on the electron density.
AMER INST PHYSICS, 2005, Physics of Semiconductors, Pts A and B, 772, 793 - 794, English[Refereed]
International conference proceedings
We report a computational study of coupled magnetic quantum dots, which are the magnetic analogue of the conventional electrically coupled quantum dots. In order to study that problem, we calculated the conductance of the narrow 2DEG in which two magnetic quantum dots are located. The calculated conductance shows several double anti-resonance-dips, which are due to the formation of the molecular like states which are extended over those two magnetic quantum dots. This is also shown by the local density of states which is given explicitly by the form of images.
AMER INST PHYSICS, 2005, Physics of Semiconductors, Pts A and B, 772, 735 - 736, English[Refereed]
International conference proceedings
We perform time-dependent (TD) and scattering-state (SS) ab-inito calculations for simulating the field emission (FE) of Na surfaces to explore the applicability of the two schemes. The amplitude of emission current is evaluated more reliably by SS than TD methods, because the former treats the steady-state electron tunneling faithfully but the latter utilizes transient electron dynamics. In contrast with the evaluation of current amplitude, the TD method is more suitable than the SS one for revealing the electronic-state origin of FE, because the TD method can directly determine the time evolution of all wave functions caused by an electric field. Thus, the TD and SS methods are found to play a complementary role in the FE study. [DOI: 10.1380/ejssnt.2005.457]
The Surface Science Society of Japan, 2005, e-Journal of Surface Science and Nanotechnology, Vol.3, pp.457-460 (3), 457 - 460, English[Refereed]
Scientific journal
The conventional unpolarized current injected into a quantum-coherent semiconductor ring attached to two non-magnetic external leads can be modulated from perfect conductor to perfect insulator limit via electrically tunable Rashba spin-orbit (SO) coupling, thereby avoiding the usage of any ferromagnetic elements or external magnetic fields. This requires that ballistic propagation of electrons, whose spin precession is induced by the topological Aharonov-Casher phase accumulated by the spin wave function during a cyclic evolution, takes place through a single conducting channel ensuring that electronic quantum state remains a pure separable one in the course of transport. We study the fate of such spin-sensitive quantum interference effects as more than one orbital conducting channel becomes available for quantum transport. Although the conductance of multichannel rings, in general, does not go all the way to zero at any value of the SO coupling, some degree of current modulation survives. We analyze possible scenarios that can lead to reduced visibility of the destructive spin interference effects that are responsible for the zero conductance at particular values of the Rashba interaction: (i) the transmitted spin states remain fully coherent, but conditions for destructive interference are different in different channels; (ii) the transmitted spins end up in partially coherent quantum state arising from entanglement to the environment composed of orbital degrees of freedom of the same particle to which the spin is attached.
AMER PHYSICAL SOC, Nov. 2004, PHYSICAL REVIEW B, 70 (19), English[Refereed]
Scientific journal
[Refereed]
Scientific journal
Starting with defining the magnetic edge state in a magnetic quantum dot, which becomes quite popular nowadays conjunction with a possible candidate for a high density memory device or spintronic materials, various magnetic nano-quantum structures are reviewed in detail. We study the magnetic edge states of the two dimensional electron gas in strong perpendicular magnetic fields. We find that magnetic edge states are formed along the boundary of the magnetic dot, which is formed by a nonuniform distribution of magnetic fields. These magnetic edge states circulate either clockwise or counterclockwise, depending on the number of missing flux quanta, and exhibit quite different properties, as compared to the conventional ones which are induced by electrostatic confinements in the quantum Hall system. We also find that a close relation between the quantum mechanical eigenstates and the classical trajectories in the magnetic dot. When a magnetic dot is located inside a quantum wire, the edge-channel scattering mechanism by the magnetic quantum dot is very different from that by electrostatic dots. Here, the magnetic dot is formed by two different magnetic fields inside and outside the dot. We study the ballistic edge-channel transport and magnetic edge states in this situation. When the inner field is parallel to the outer one, the two-terminal conductance is quantized and shows the features of a transmission barrier and a resonator. On the other hand, when the inner field-is reversed, the conductance is not quantized and all channels can be completely reflected in some energy ranges. The difference between the above two cases results from the distinct magnetic confinements. We also describe successfully the edge states of magnetic quantum rings and others in detail. (C) 2003 Elsevier B.V. All rights reserved.
ELSEVIER SCIENCE BV, Apr. 2004, PHYSICS REPORTS-REVIEW SECTION OF PHYSICS LETTERS, 394 (1), 1 - 40, English[Refereed]
Scientific journal
Ferromagnetism in III-V diluted magnetic semiconductor (DMS) quantum wells is studied theoretically paying special attention to the occupation of multiple subbands by holes and the effect of static electric field perpendicular to the well plane. Our calculations show that the ferromagnetic transition temperature T, of DMS quantum-well exhibits step-function-like dependence on the carrier concentration, reflecting the quasi-two-dimensional nature of systems. The T, can be sensitively controlled by the application of electric field when the hole density is small so as to occupy only a few subbands. (C) 2003 Elsevier B.V. All rights reserved.
ELSEVIER SCIENCE BV, Mar. 2004, PHYSICA E-LOW-DIMENSIONAL SYSTEMS & NANOSTRUCTURES, 21 (2-4), 1037 - 1040, English[Refereed]
Scientific journal
[Refereed]
We present a theoretical study of electronic transport in quantum wires (narrow two-dimensional electron gas) with array of magnetic quantum dots. Each magnetic quantum dot is defined by a small circular region where the strength of perpendicular magnetic field is modulated. By making use of a newly developed calculation method based on the gauge transformations, we calculated the conductance as a function of the external perpendicular magnetic field. Our numerical calculations show that the magnetoconductance is very sensitive to the number of magnetic quantum dots in the field region where the direction of the net magnetic field in dot regions is antiparallel to the external magnetic field.
KLUWER ACADEMIC/PLENUM PUBL, Apr. 2003, JOURNAL OF SUPERCONDUCTIVITY, 16 (2), 339 - 342, English[Refereed]
Scientific journal
We study the density of states in a cylindrical quantum box formed by a cylindrical penetrable barrier and a planer penetrable double barrier perpendicular to the cylinder. The control of the cylindrical barrier thickness or height is found to cause the 3D-Q1D and Q2D-QOD transitions if the strength of the planer double barrier is zero and infinity, respectively. In the transient regime of the 3D-Q1D (Q2D-QOD) transition, we found the presence of the Q2D (Q1D) like crossover regime, in which the tunneling motion through the cylindrical barrier is interpreted to provide the "free" degree of freedom to the DOS.
NOVA SCIENCE PUBLISHERS, INC, 2003, SIMILARITY IN DIVERSITY, 27 - 34, English[Refereed]
International conference proceedings
We study the density of states (DOS) in a cylindrical quantum box formed by a cylindrical penetrable barrier and a planer penetrable double barrier perpendicular to the cylinder. The control of the cylindrical barrier thickness or height is found to cause the dimensional transitions from a three-dimensional (3D) DOS to a quasi-one-dimensional (Q1D) DOS and from a quasi-two-dimensional (Q2D) DOS to a quasi-zero-dimensional (Q0D) DOS, if the strength of the planer double barrier is zero and infinity, respectively. In between the 3D and the Q1D (Q2D and Q0D) limiting regimes, we found the presence of a Q2D (Q1D) like crossover regime. (C) 2002 American Institute of Physics.
AMER INST PHYSICS, Dec. 2002, JOURNAL OF APPLIED PHYSICS, 92 (11), 6927 - 6929, English[Refereed]
Scientific journal
Within the context of a simplified model,we study the density of states (DOS) in a cylindrical region surrounded by a cylindrical penetrable barrier, within the context of a simplified model. It is shown that the DOS in the cylindrical region exhibits a smooth transition from a three-dimensional (3D)-type energy dependence to a quasi-one-dimensional (Q1D)-type (sawtooth-like) energy dependence with increasing strength of the cylindrical potential barrier. Interestingly, in a transient region between the 3D and the Q1D behaviors, the DOS shows a quasi-two-dimensional (Q2D)-type (staircase-like) energy dependence in a certain narrow energy range.
KOREAN PHYSICAL SOC, Jun. 2002, JOURNAL OF THE KOREAN PHYSICAL SOCIETY, 40 (6), 1051 - 1055, English[Refereed]
Scientific journal
Mathematical relations between the local density of states (LDOS) and the scattering matrix (i.e., transmission and reflection amplitudes) for quasi-one-dimensional systems are derived in the presence of static uniform magnetic fields. Starting from the definition of the LDOS expressed by the Green's function, we derive the formulas for the LDOS in terms of the functional derivative of the scattering matrix or the Friedel phase with respect to a scattering potential.
AMERICAN PHYSICAL SOC, Mar. 2002, PHYSICAL REVIEW B, 65 (11), English[Refereed]
Scientific journal
[Refereed]
The effect of phase-breaking due to the presence of voltage probes is investigated theoretically through a study of the conductance oscillation caused by inter-edge scattering between the circular edge-states around an antidot and those localized edge-states along the system boundaries on both sides of a conductor.
AMER INST PHYSICS, 2000, STATISTICAL PHYSICS, 519, 569 - 571, English[Refereed]
International conference proceedings
We study the effect of impurities on the conductance of mesoscopic Corbino disks placed in a uniform magnetic field, where noninteracting electrons are transmitted from inner to outer edge coherently. The magnetoconductance is calculated numerically by applying the Landauer-Buttiker formula for an annular two-dimensional electron gas system. The results are interpreted in terms of the classical picture of cyclotron orbits. [S0163-1829(99)08547-1].
AMER PHYSICAL SOC, Dec. 1999, PHYSICAL REVIEW B, 60 (23), 15928 - 15936, English[Refereed]
Scientific journal
[Refereed]
[Refereed]
We have studied electrical conductance of nanoscale Corbino disks having single delta-function impurities. Kirczenow [J. Phys.: Condens. Matter 6, L583 (1994)] predicted that the conductance G in ballistic Corbino disks at zero temperature is quantized in odd integer multiples of 2e(2/)h. We found that the same feature of conductance quantization as in the case of ballistic Corbino disks can be seen in the presence of single repulsive delta-function impurity in nanoscale Corbino disks, regardless of the impurity strength. For an attractive delta-function impurity, however, G decreases significantly at the energy levels of quasibound states formed in the effective confining potential. This indicates that the presence of evanescent modes strongly affects the scattering of propagating waves by single attractive delta-function impurity. This feature appears distinctively in the first step of the conductance for weak impurity whereas for strong impurity in the second or subsequent steps, depending on the strength of the impurity.
Lead, AMER PHYSICAL SOC, Aug. 1998, PHYSICAL REVIEW B, 58 (8), 4649 - 4655, English[Refereed]
Scientific journal
[Refereed]
[Refereed]
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The Japanese Association for the Study of Musical IMprovisation
Dec. 2021 - PresentThe Japan Society of Applied Physics
Feb. 2013 - PresentIEEE
Oct. 2010 - Present機械学習を原子膜デバイスのシミュレーションと最適化設計に応用する事を目的に,これまで,非平衡グリーン関数(NEGF)法に基づくデバイスシミュレーションを畳み込みニューラルネットワーク(CNN)を用いて高速化する手法を確立してきたが,これまでは散乱を考慮しないコヒーレント輸送を前提としていた.より現実的なシミュレーションのためには電子フォノン散乱などの散乱機構を考慮に入れる必要がある.そこで,散乱を考慮したNEGF法に基づくデバイスシミュレーションにおいて機械学習手法,特にニューラルネットワーク(NN)モデルを用いる事によりシミュレーションを高速化する手法についての検討を行った.具体的には,散乱のある場合の電流計算に必要となる非平衡状態での相関グリーン関数(占有状態,非占有状態共)のスペクトル分布(各エネルギー毎の値)が,散乱の無いコヒーレント輸送の場合には大きな計算負荷を要せず(あるいは開発済みのコヒーレント輸送用のNEGF機械学習モデルを用いる事により更に高速に)計算される事,及び,散乱のある場合の上記のスペクトル分布が散乱強度等によって系統的な影響を受ける事に注目し,それらの間の対応関係をNNによって学習させる手法を提案し,この手法によって散乱のある場合の電流がNNモデルによってある程度の精度で低計算負荷に推論可能になる事を明らかにした. 更に,機械学習を用いる事によるデバイス性能予測とデバイス探索のための一般的なフレームワーク検討として,NNを用いる事により,与えられた素子パラメータに対するデバイス特性を直接的に予測するための一般的なモデルを提案し,高い精度で予測可能であることを明らかにした.また,その逆問題として,所望のデバイス性能が与えられた時にそれを実現するデバイスパラメータを抽出するための一般的なモデルも提案,その実用性を示した.
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