The electrical characteristics of a double-gate armchair silicene nanoribbon field-effect-transistor （DG ASiNR FET） are thoroughly investigated by using a ballistic quantum transport model based on non-equilibrium G...The electrical characteristics of a double-gate armchair silicene nanoribbon field-effect-transistor （DG ASiNR FET） are thoroughly investigated by using a ballistic quantum transport model based on non-equilibrium Green＇s function （NEGF） approach self-consistently coupled with a three-dimensional （3D） Poisson equation. We evaluate the influence of variation in uniaxial tensile strain, ribbon temperature and oxide thickness on the on-off current ratio, subthreshold swing, transconductance and the delay time of a 12-nm-length ultranarrow ASiNR FET. A novel two-parameter strain mag- nitude and temperature-dependent model is presented for designing an optimized device possessing balanced amelioration of all the electrical parameters. We demonstrate that employing HfO2 as the gate insulator can be a favorable choice and simultaneous use of it with proper combination of temperature and strain magnitude can achieve better device performance. Furthermore, a general model power （GMP） is derived which explicitly provides the electron effective mass as a function of the bandgap of a hydrogen passivated ASiNR under strain.展开更多
A theoretical study of resonant tunneling is carried out for an inverse parabolic double-barrier structure subjected to an external electric field. Tunneling transmission coefficient and density of states are analyzed...A theoretical study of resonant tunneling is carried out for an inverse parabolic double-barrier structure subjected to an external electric field. Tunneling transmission coefficient and density of states are analyzed by using the non-equilibrium Green＇s function approach based on the finite difference method. It is found that the resonant peak of the transmission coefficient, being unity for a symmetrical case, reduces under the applied electric field and depends strongly on the variation of the structure parameters.展开更多
The conductance stabilities of carbon atomic chains （CACs） with different lengths are investigated by performing the- oretical calculations using the nonequilibrium Green＇s function method combined with density fun...The conductance stabilities of carbon atomic chains （CACs） with different lengths are investigated by performing the- oretical calculations using the nonequilibrium Green＇s function method combined with density functional theory. Regular even-odd conductance oscillation is observed as a function of the wire length. This oscillation is influenced delicately by changes in the end carbon or sulfur atoms as well as variations in coupling strength between the chain and leads. The lowest unoccupied molecular orbital in odd-numbered chains is the main transmission channel, whereas the conductance remains relatively small for even-numbered chains and a significant drift in the highest occupied molecular orbital resonance to- ward higher energies is observed as the number of carbon atoms increases. The amplitude of the conductance oscillation is predicted to be relatively stable based on a thiol joint between the chain and leads. Results show that the current-voltage evolution of CACs can be affected by the chain length. The differential and second derivatives of the conductance are also provided.展开更多
Impacts of effective oxide thickness on a symmetric double-gate MOSFET with 9-nm gate length are studied, using full quantum simulation. The simulations are based on a self-consistent solution of the two-dimensional ...Impacts of effective oxide thickness on a symmetric double-gate MOSFET with 9-nm gate length are studied, using full quantum simulation. The simulations are based on a self-consistent solution of the two-dimensional （2D） Poisson equation and the Schr6dinger equation within the non-equilibrium Green＇s function formalism. Oxide thickness and gate dielectric are investigated in terms of drain current, on-off current ratio, off current, sub-threshold swing, drain induced barrier lowering, transconductance, drain conductance, and voltage. Simulation results illustrate that we can improve the device performance by proper selection of the effective oxide thickness.展开更多
Designing tunable molecular devices with different charge carriers in single-molecule junctions is crucial to the nextgeneration electronic technology.Recently,it has been demonstrated that the type of charge carriers...Designing tunable molecular devices with different charge carriers in single-molecule junctions is crucial to the nextgeneration electronic technology.Recently,it has been demonstrated that the type of charge carriers depends on and can be tuned by controlling the molecular length and the number of interfacial covalent bonds.In this study,we show that the type of charge carriers can also be tuned by controlling the material and shape of electrodes.N-heterocyclic carbenes(NHCs)have attracted attention because of their ability to form strong,substitutional inert bonds in a variety of metals.Also,NHCs are more stable than the widely used thiol group.Therefore,we use electrodes to tune the type of charge carriers in a series of NHCs with different side groups.The ab initio calculations based on non-equilibrium Green’s formalism combined with density functional theory show that the dominant charge carrier switches from electrons to holes when gold electrodes are changed into platinum ones.The nature of the charge carriers can be identified by variations in the transport spectra at the Fermi level(EF),which are caused by the side groups.The projections of transport spectra onto the central molecules further validate our inferences.In addition,the transmission coefficient at EF is found to be dependent on the atomic interface structure.In particular,for the NHC without methyl or ethyl side groups,connecting a protruding atom on the electrode surface significantly enhances the transportability of both electrode materials.Overall,this study presents an effective approach to modifying transport properties,which has potential applications in designing functional molecular devices based on NHCs.展开更多
We adopt a self-consistent real space Kerker method to prevent the divergence from charge sloshing in the simulating transistors with realistic discrete dopants in the source and drain regions. The method achieves eff...We adopt a self-consistent real space Kerker method to prevent the divergence from charge sloshing in the simulating transistors with realistic discrete dopants in the source and drain regions. The method achieves efficient convergence by avoiding unrealistic long range charge sloshing but keeping effects from short range charge sloshing. Numerical results show that discrete dopants in the source and drain regions could have a bigger influence on the electrical variability than the usual continuous doping without considering charge sloshing. Few discrete dopants and the narrow geometry create a situation with short range Coulomb screening and oscillations of charge density in real space. The dopants induced quasilocalized defect modes in the source region experience short range oscillations in order to reach the drain end of the device.The charging of the defect modes and the oscillations of the charge density are identified by the simulation of the electron density.展开更多
We investigate the time-modulated electronic and spin transport properties through two T-shaped three-quantum-dot molecules embedded in an Aharonov-Bohm（A-B） interferometer. By using the Keldysh non-equilibrium Gree...We investigate the time-modulated electronic and spin transport properties through two T-shaped three-quantum-dot molecules embedded in an Aharonov-Bohm（A-B） interferometer. By using the Keldysh non-equilibrium Green＇s function technique, the photon-assisted spin-dependent average current is analyzed. The T-shaped three-quantum-dot molecule A-B interferometer exhibits excellent controllability in the average current resonance spectra by adjusting the interdot coupling strength, Rashba spin-orbit coupling strength, magnetic flux, and amplitude of the time-dependent external field.Efficient spin filtering and multiple electron-photon pump functions are exploited in the multi-quantum-dot molecule A-B interferometer by a time-modulated external field.展开更多
We have studied the transport properties of a ring-coupled quantum dot array driven by an AC magnetic field, which is connected to two leads, and we give the response of the transport current to the dynamical localiza...We have studied the transport properties of a ring-coupled quantum dot array driven by an AC magnetic field, which is connected to two leads, and we give the response of the transport current to the dynamical localization. We found that when the ratio of the magnetic flux to the total quantum dots number is a root of the zeroth order Bessel function, dynamical localization and collapse of quasi-energy occurs and importantly~ the transport current displays a dip which is the signal of dynamical localization. The dynamical localization effect is strengthened as a result of the increase of the quantum dot number, and it is weakened on account of the increase of the dots-lead hopping rate.展开更多
文摘The electrical characteristics of a double-gate armchair silicene nanoribbon field-effect-transistor （DG ASiNR FET） are thoroughly investigated by using a ballistic quantum transport model based on non-equilibrium Green＇s function （NEGF） approach self-consistently coupled with a three-dimensional （3D） Poisson equation. We evaluate the influence of variation in uniaxial tensile strain, ribbon temperature and oxide thickness on the on-off current ratio, subthreshold swing, transconductance and the delay time of a 12-nm-length ultranarrow ASiNR FET. A novel two-parameter strain mag- nitude and temperature-dependent model is presented for designing an optimized device possessing balanced amelioration of all the electrical parameters. We demonstrate that employing HfO2 as the gate insulator can be a favorable choice and simultaneous use of it with proper combination of temperature and strain magnitude can achieve better device performance. Furthermore, a general model power （GMP） is derived which explicitly provides the electron effective mass as a function of the bandgap of a hydrogen passivated ASiNR under strain.
文摘A theoretical study of resonant tunneling is carried out for an inverse parabolic double-barrier structure subjected to an external electric field. Tunneling transmission coefficient and density of states are analyzed by using the non-equilibrium Green＇s function approach based on the finite difference method. It is found that the resonant peak of the transmission coefficient, being unity for a symmetrical case, reduces under the applied electric field and depends strongly on the variation of the structure parameters.
基金Project supported by the National Natural Science Foundation of China(Grant Nos.11304079,11404094,and 51201059)the Priority Scientific and Technological Project of Henan Province,China(Grant No.14A140027)+1 种基金the School Fund(Grant No.2012BS055)the Plan of Natural Science Fundamental Research of Henan University of Technology,China(Grant No.2014JCYJ15)
文摘The conductance stabilities of carbon atomic chains （CACs） with different lengths are investigated by performing the- oretical calculations using the nonequilibrium Green＇s function method combined with density functional theory. Regular even-odd conductance oscillation is observed as a function of the wire length. This oscillation is influenced delicately by changes in the end carbon or sulfur atoms as well as variations in coupling strength between the chain and leads. The lowest unoccupied molecular orbital in odd-numbered chains is the main transmission channel, whereas the conductance remains relatively small for even-numbered chains and a significant drift in the highest occupied molecular orbital resonance to- ward higher energies is observed as the number of carbon atoms increases. The amplitude of the conductance oscillation is predicted to be relatively stable based on a thiol joint between the chain and leads. Results show that the current-voltage evolution of CACs can be affected by the chain length. The differential and second derivatives of the conductance are also provided.
文摘Impacts of effective oxide thickness on a symmetric double-gate MOSFET with 9-nm gate length are studied, using full quantum simulation. The simulations are based on a self-consistent solution of the two-dimensional （2D） Poisson equation and the Schr6dinger equation within the non-equilibrium Green＇s function formalism. Oxide thickness and gate dielectric are investigated in terms of drain current, on-off current ratio, off current, sub-threshold swing, drain induced barrier lowering, transconductance, drain conductance, and voltage. Simulation results illustrate that we can improve the device performance by proper selection of the effective oxide thickness.
基金Project supported by the National Natural Science Foundation of China(Grants Nos.11874242 and 21933002)the Shandong Provincial Natural Science Foundation,China(Grant No.ZR2019PA022).
文摘Designing tunable molecular devices with different charge carriers in single-molecule junctions is crucial to the nextgeneration electronic technology.Recently,it has been demonstrated that the type of charge carriers depends on and can be tuned by controlling the molecular length and the number of interfacial covalent bonds.In this study,we show that the type of charge carriers can also be tuned by controlling the material and shape of electrodes.N-heterocyclic carbenes(NHCs)have attracted attention because of their ability to form strong,substitutional inert bonds in a variety of metals.Also,NHCs are more stable than the widely used thiol group.Therefore,we use electrodes to tune the type of charge carriers in a series of NHCs with different side groups.The ab initio calculations based on non-equilibrium Green’s formalism combined with density functional theory show that the dominant charge carrier switches from electrons to holes when gold electrodes are changed into platinum ones.The nature of the charge carriers can be identified by variations in the transport spectra at the Fermi level(EF),which are caused by the side groups.The projections of transport spectra onto the central molecules further validate our inferences.In addition,the transmission coefficient at EF is found to be dependent on the atomic interface structure.In particular,for the NHC without methyl or ethyl side groups,connecting a protruding atom on the electrode surface significantly enhances the transportability of both electrode materials.Overall,this study presents an effective approach to modifying transport properties,which has potential applications in designing functional molecular devices based on NHCs.
基金Project supported by the National Natural Science Foundation of China(Grant No.11104069)
文摘We adopt a self-consistent real space Kerker method to prevent the divergence from charge sloshing in the simulating transistors with realistic discrete dopants in the source and drain regions. The method achieves efficient convergence by avoiding unrealistic long range charge sloshing but keeping effects from short range charge sloshing. Numerical results show that discrete dopants in the source and drain regions could have a bigger influence on the electrical variability than the usual continuous doping without considering charge sloshing. Few discrete dopants and the narrow geometry create a situation with short range Coulomb screening and oscillations of charge density in real space. The dopants induced quasilocalized defect modes in the source region experience short range oscillations in order to reach the drain end of the device.The charging of the defect modes and the oscillations of the charge density are identified by the simulation of the electron density.
基金Project supported by the National Natural Science Foundation of China(Grant Nos.11447132 and 11504042)the Natural Science Foundation of Heilongjiang,China(Grant No.A201405)+2 种基金111 Project to Harbin Engineering University,China(Grant No.B13015)Chongqing Science and Technology Commission Project,China(Grant Nos.cstc2014jcyj A00032 and cstc2016jcyj A1158)Scientific Research Project for Advanced Talents of Yangtze Normal University,China(Grant No.2017KYQD09)
文摘We investigate the time-modulated electronic and spin transport properties through two T-shaped three-quantum-dot molecules embedded in an Aharonov-Bohm（A-B） interferometer. By using the Keldysh non-equilibrium Green＇s function technique, the photon-assisted spin-dependent average current is analyzed. The T-shaped three-quantum-dot molecule A-B interferometer exhibits excellent controllability in the average current resonance spectra by adjusting the interdot coupling strength, Rashba spin-orbit coupling strength, magnetic flux, and amplitude of the time-dependent external field.Efficient spin filtering and multiple electron-photon pump functions are exploited in the multi-quantum-dot molecule A-B interferometer by a time-modulated external field.
文摘We have studied the transport properties of a ring-coupled quantum dot array driven by an AC magnetic field, which is connected to two leads, and we give the response of the transport current to the dynamical localization. We found that when the ratio of the magnetic flux to the total quantum dots number is a root of the zeroth order Bessel function, dynamical localization and collapse of quasi-energy occurs and importantly~ the transport current displays a dip which is the signal of dynamical localization. The dynamical localization effect is strengthened as a result of the increase of the quantum dot number, and it is weakened on account of the increase of the dots-lead hopping rate.
