We have carried out a theoretical study of double-5-doped InAlAs/InGaAs/InP high electron mobility transistor （HEMT） by means of the finite differential method. The electronic states in the quantum well of the HEMT ...We have carried out a theoretical study of double-5-doped InAlAs/InGaAs/InP high electron mobility transistor （HEMT） by means of the finite differential method. The electronic states in the quantum well of the HEMT are calculated self-consistently. Instead of boundary conditions, initial conditions are used to solve the Poisson equation. The concentration of two-dimensional electron gas （2DEG） and its distribution in the HEMT have been obtained. By changing the doping density of upper and lower impurity layers we find that the 2DEG concentration confined in the channel is greatly affected by these two doping layers. But the electrons depleted by the Schottky contact are hardly affected by the lower impurity layer. It is only related to the doping density of upper impurity layer. This means that we can deal with the doping concentrations of the two impurity layers and optimize them separately. Considering the sheet concentration and the mobility of the electrons in the channel, the optimized doping densities are found to be 5 × 10^12 and 3× 10^12 cm^-2 for the upper and lower impurity layers, respectively, in the double-5-doped InAlAs/InGaAs/InP HEMTs.展开更多
This article reports the results of our investigations on electronic and transport properties of zinc blende gallium antimonide (zb-GaSb). Our ab-initio, self-consistent and non-relativistic calculations used a local ...This article reports the results of our investigations on electronic and transport properties of zinc blende gallium antimonide (zb-GaSb). Our ab-initio, self-consistent and non-relativistic calculations used a local density approximation potential (LDA) and the linear combination of atomic orbital formalism (LCAO). We have succeeded in performing a generalized minimization of the energy, using the Bagayoko, Zhao and Williams (BZW) method, to reach the ground state of the material while avoiding over-complete basis sets. Consequently, our results have the full physical content of density functional theory (DFT) and agree with available, corresponding experimental data. Using an experimental room temperature lattice constant of 6.09593?, we obtained a direct band gap of 0.751 eV, in good agreement with room temperature measurements. Our results reproduced the experimental locations of the peaks in the total density of valence states as well as the measured electron and hole effective masses. Hence, this work points to the capability of ab-initio DFT calculations to inform and to guide the design and the fabrication of semiconductor based devices—provided a generalized minimization of the energy is performed.展开更多
In this paper, we modeled a core/shell/shell structure with cylindrical Schrodinger-Poisson coupled equation when a magnetic field is (and is not) applied along its axis. We showed the electron density is peaked near ...In this paper, we modeled a core/shell/shell structure with cylindrical Schrodinger-Poisson coupled equation when a magnetic field is (and is not) applied along its axis. We showed the electron density is peaked near the outer surface of the channel when the magnetic field is applied. Therefore one may make a nano-device which its electrons move only on its outer surface. Also we applied a gate voltage to the device and showed a higher threshold voltage (to turn on the device) is necessary when a magnetic field is applied. This is because of the increase in the lowest energy level similar to the size quantization. i.e a device with longer channel looks like a device with shorter channel if it is placed in a magnetic field parallel to its axis.展开更多
The Rashba coefficient and Rashba spin splitting for the first subband of the Alo.5Gao.5N/GaN/ Alo.5Gao.5N quantum well （QW） with various sheet carrier densities （Ns） are calculated by solving Schr6dinger and Pois...The Rashba coefficient and Rashba spin splitting for the first subband of the Alo.5Gao.5N/GaN/ Alo.5Gao.5N quantum well （QW） with various sheet carrier densities （Ns） are calculated by solving Schr6dinger and Poisson equations self-consistently. The Rashba spin splitting for the first subband at the Fermi level is considerable and increases evidently with Ns, since the Rashba coefficient, especially the Fermi wave vector increase rapidly. With increasing Ns, the peak of the wave function for the first subband moves towards the left heterointerface, and the average electric field in the well increases, so the two dominant contributions coming from the well and the heterointerface increase. Therefore, the strong polarization electric field and high density of 2DEG in III-nitrides heterostructures are of great importance to a and make the Rashba spin splitting in A1GaN/GaN QWs comparable to that of narrow-gap III-V materials. The results indicate that the sheet carrier density is an important parameter affecting the Rashba coefficient and Rashba spin splitting in A1GaN/GaN QWs, showing the possible application of this material system in spintronic devices.展开更多
We have studied the electronic properties of molybdenum diselenide （MoSe2） in both bulk and mono- layer （zigzag and armchair） forms using density function theory. The metallic nature of the zigzag MoSe2 （ZMoSe2）...We have studied the electronic properties of molybdenum diselenide （MoSe2） in both bulk and mono- layer （zigzag and armchair） forms using density function theory. The metallic nature of the zigzag MoSe2 （ZMoSe2） nanoribbon and the semiconducting behavior of the armchair MoSe2 （AMoSe2） nanoribbon have been explored us- ing a band structure calculated using self-consistent calculations. We have also studied the variation in the bandgap in the presence of a small amount of strain （uniaxial, biaxial）. The effect of tensile strain has been investigated and shifts in the conduction band and valance band have been observed with different amounts of applied strain.展开更多
文摘We have carried out a theoretical study of double-5-doped InAlAs/InGaAs/InP high electron mobility transistor （HEMT） by means of the finite differential method. The electronic states in the quantum well of the HEMT are calculated self-consistently. Instead of boundary conditions, initial conditions are used to solve the Poisson equation. The concentration of two-dimensional electron gas （2DEG） and its distribution in the HEMT have been obtained. By changing the doping density of upper and lower impurity layers we find that the 2DEG concentration confined in the channel is greatly affected by these two doping layers. But the electrons depleted by the Schottky contact are hardly affected by the lower impurity layer. It is only related to the doping density of upper impurity layer. This means that we can deal with the doping concentrations of the two impurity layers and optimize them separately. Considering the sheet concentration and the mobility of the electrons in the channel, the optimized doping densities are found to be 5 × 10^12 and 3× 10^12 cm^-2 for the upper and lower impurity layers, respectively, in the double-5-doped InAlAs/InGaAs/InP HEMTs.
文摘This article reports the results of our investigations on electronic and transport properties of zinc blende gallium antimonide (zb-GaSb). Our ab-initio, self-consistent and non-relativistic calculations used a local density approximation potential (LDA) and the linear combination of atomic orbital formalism (LCAO). We have succeeded in performing a generalized minimization of the energy, using the Bagayoko, Zhao and Williams (BZW) method, to reach the ground state of the material while avoiding over-complete basis sets. Consequently, our results have the full physical content of density functional theory (DFT) and agree with available, corresponding experimental data. Using an experimental room temperature lattice constant of 6.09593?, we obtained a direct band gap of 0.751 eV, in good agreement with room temperature measurements. Our results reproduced the experimental locations of the peaks in the total density of valence states as well as the measured electron and hole effective masses. Hence, this work points to the capability of ab-initio DFT calculations to inform and to guide the design and the fabrication of semiconductor based devices—provided a generalized minimization of the energy is performed.
文摘In this paper, we modeled a core/shell/shell structure with cylindrical Schrodinger-Poisson coupled equation when a magnetic field is (and is not) applied along its axis. We showed the electron density is peaked near the outer surface of the channel when the magnetic field is applied. Therefore one may make a nano-device which its electrons move only on its outer surface. Also we applied a gate voltage to the device and showed a higher threshold voltage (to turn on the device) is necessary when a magnetic field is applied. This is because of the increase in the lowest energy level similar to the size quantization. i.e a device with longer channel looks like a device with shorter channel if it is placed in a magnetic field parallel to its axis.
基金Project supported by the National Natural Science Foundation of China(Nos.61306012,11004168)the Program for Science & Technology Innovation Talents in Universities of Henan Province(No.2012HASTIT033)
文摘The Rashba coefficient and Rashba spin splitting for the first subband of the Alo.5Gao.5N/GaN/ Alo.5Gao.5N quantum well （QW） with various sheet carrier densities （Ns） are calculated by solving Schr6dinger and Poisson equations self-consistently. The Rashba spin splitting for the first subband at the Fermi level is considerable and increases evidently with Ns, since the Rashba coefficient, especially the Fermi wave vector increase rapidly. With increasing Ns, the peak of the wave function for the first subband moves towards the left heterointerface, and the average electric field in the well increases, so the two dominant contributions coming from the well and the heterointerface increase. Therefore, the strong polarization electric field and high density of 2DEG in III-nitrides heterostructures are of great importance to a and make the Rashba spin splitting in A1GaN/GaN QWs comparable to that of narrow-gap III-V materials. The results indicate that the sheet carrier density is an important parameter affecting the Rashba coefficient and Rashba spin splitting in A1GaN/GaN QWs, showing the possible application of this material system in spintronic devices.
文摘We have studied the electronic properties of molybdenum diselenide （MoSe2） in both bulk and mono- layer （zigzag and armchair） forms using density function theory. The metallic nature of the zigzag MoSe2 （ZMoSe2） nanoribbon and the semiconducting behavior of the armchair MoSe2 （AMoSe2） nanoribbon have been explored us- ing a band structure calculated using self-consistent calculations. We have also studied the variation in the bandgap in the presence of a small amount of strain （uniaxial, biaxial）. The effect of tensile strain has been investigated and shifts in the conduction band and valance band have been observed with different amounts of applied strain.
