单轴[110]应力硅电子迁移率

基于k·p微扰法研究单轴[110]应力作用下硅的导带结构,获得单轴[110]应力硅的导带底能量及电子有效质量.在此基础上,考虑电子谷间、谷内及电离杂质散射,采用弛豫时间近似计算单轴[110]应力硅沿不同晶向的电子迁移率.结果表明：单轴[110]应力作用下硅的电子迁移率具有明显的各向异性.在[001]、[110]及[110]输运晶向中,张应力作用下电子沿[110]晶向输运时迁移率有较大的增强,由未受应力时的1 450 cm²·Vs^-1提高到2 GPa应力作用下的2 500 cm²·Vs^-1.迁移率增强的主要原因是电子有效质量的减小,而应力作用下硅导带能谷分裂导致的谷间散射几率的减小对电子迁移率的影响并不显著.     

单轴应变Si(001)任意晶向电子电导有效质量模型

单轴应变Si材料电子电导有效质量是理解其电子迁移率增强的关键因素之一, 对其深入研究具有重要的理论意义和实用价值. 本文从Schrödinger方程出发, 将应力场考虑进来, 建立了单轴应变Si材料导带E-k解析模型. 并在此基础上, 最终建立了单轴应变Si(001)任意晶向电子电导率有效质量与应力强度和应力类型的关系模型. 本文的研究结果表明: 1) 单轴应力致电子迁移率增强的应力类型应选择张应力. 2) 单轴张应力情况下, 仅从电子电导有效质量角度考虑, [110]/(001)晶向与[100]/(001)晶向均可. 但考虑到态密度有效质量的因素, 应选择[110]/(001)晶向. 3) 沿(001)晶面上[110]晶向施加单轴张应力时, 若想进一步提高电子迁移率, 应选取[100]晶向为器件沟道方向. 以上结论可为应变Si nMOS器件性能增强的研究及导电沟道的应力与晶向设计提供重要理论依据. 关键词： 单轴应变 E-k关系')" href="#">E-k关系 电导有效质量     

Valence band structure of strained Si/(111)Si_(1-x)Ge_x

The strained Si techique has been widely adopted in the high-speed and high-performance devices and circuits. Based on the valence band E-k relations of strained Si/(111)Si1-xGex, the valence band and hole effective mass along the [111] and [-110] directions were obtained in this work. In comparison with the relaxed Si, the valence band edge degeneracy was partially lifted, and the significant change was observed band structures along the [111] and [-110] directions, as well as in its corresponding hole eff...     

[110]/(001)单轴应变Si本征载流子浓度模型

本文首先讨论了在沿[110]方向的单轴应力对体Si材料能带结构参数的影响,在此基础上计算出单轴应变Si中平衡载流子浓度,给出了物理意义明确的导带、价带有效态密度的表达式.最后,结合有效态密度和禁带宽度的表达式,建立了[110]/(001)单轴应变Si本征载流子浓度模型.本文的研究方法亦适用于建立(001)面任意应力方向上的应变Si本征载流子浓度模型,并为相关单轴应变Si器件的设计、建模以及仿真提供了一定的理论参考. 关键词： [110]/(001)单轴应变Si 有效态密度 本征载流子浓度     

Piezospectroscopic investigation of the nature of the subsidiary valence band extrema in TiO2

In order to assess the localization in k-space of the secondary valence band extrema, we have measured the stress dependence of the indirect transition of TiO₂, at 1.6 K, for static uniaxial compression along the [100] and [110] directions. From the stress-induced splittings we localize the secondary valence-band extrema in [100] direction (Δ direction) and associate the indirect gap of TiO₂ with a Δ_4v → Γ_1c phonon-assisted transition. The shear deformation potential of the Δ_4v valence band has been determined from the stress-induced splitting of the TA phonon-assited transition. We find |C_Δ4v| = 0.75 eV.     

Hole intersubband transitions in GaAs/AlGaAs multiple quantum wells… A new method for determining the Luttinger parameters

Resonant electronic Raman scattering from photoexcited holes has been observed for multiple quantum wells (MQW's) grown in the [111]b and [100] directions. The measurements indicate that the heavy hole mass in the [111] direction is 0.75mo. This value is 2.2 times larger than the value characteristics of the [100] direction. The measurements also quantify the degree of anisotropy for the light holes. We propose a new set of Luttinger parameters that describe the anisotropy of the valence band in GaAs and are consistent with the interband and intersubband transitions observed in [100] and [111]b MQW's.     

(100)Si基应变p型金属氧化物半导体[110]晶向电导率有效质量双椭球模型

利用应变技术和沟道晶向工程技术,均可有效增强Si基金属氧化物半导体器件的性能.本文提出了(100)Si p型金属氧化物半导体(PMOS)[110]晶向电导率有效质量双椭球模型,从理论上解释了Si PMOS[100]晶向沟道空穴迁移率为[110]晶向沟道空穴迁移率1.15倍的原因.基于(100)Si基应变PMOS反型层E-k关系,拓展应用该模型,首先获得了(100)Si基应变PMOS反型层价带第一子带等能图,然后给出了(100)Si基应变PMOS器件反型层[110]晶向空穴电导率有效质量模型.本文的模型方案合理可行,可为Si基应变PMOS器件的研究与设计提供有价值的参考.     

量子局域效应和应力对GaSb纳米线电子结构影响的第一性原理研究

采用基于密度泛函理论的第一性原理计算方法, 研究了不同晶体结构和尺寸的GaSb纳米线能带结构特性和载流子的有效质量, 以及单轴应力对GaSb纳米线能带结构的调控. 研究结果表明: 闪锌矿结构[111]方向和纤锌矿结构[0001]方向的小尺寸GaSb纳米线均出现间接带隙的能带结构, 并可通过单轴应力来实现纳米线能带结构由间接带隙到直接带隙的转变, 其中, 闪锌矿结构[111]方向GaSb纳米线仅在受到单轴拉伸应力时才发生能带由间接带隙到直接带隙的转变, 而纤锌矿结构[0001]方向GaSb纳米线无论受单轴拉伸还是压缩应力的作用均可实现能带由间接带隙到直接带隙的转变; [111]和[0001]方向GaSb纳米线的带隙和载流子有效质量与纳米线直径呈非线性关系, 并随纳米线直径的减小而增大; 同一方向和尺寸的GaSb纳米线, 其空穴有效质量要小于电子有效质量, 这表明小尺寸GaSb纳米线有利于空穴载流子输运.     

Uniaxial stress dependence of ultrasonic attenuation in p-type silicon

The attenuation of transverse ultrasonic waves along the [100] direction in p-Si increases rapidly with decreasing temperature in the liquid helium region. This increase is removed by the application of uniaxial static stress along the [001] direction. The observed stress dependence is explained qualitatively by a bound hole model.     

Polarization of valence band holes in the (Ga,Mn)as diluted magnetic semiconductor

We report on direct measurements of the impurity band hole polarization in the diluted magnetic semiconductor (Ga,Mn)As. The polarization of impurity band holes in a magnetic field is strongly enhanced by antiferromagnetic exchange interaction with Mn ions. The temperature dependence of the hole polarization shows a strong increase of this polarization below the Curie temperature. We show that the ground state of the impurity band is formed by uniaxial stress split F=+/-1 states of antiferromagnetically coupled Mn ions (S=5/2) and valence band holes (J=3/2). The gap between the Mn acceptor related impurity band and the valence band is directly measured in a wide range of Mn content.     

(001)面任意方向单轴应变硅材料能带结构

首先计算了(001)晶面单轴应变张量,在此基础上采用结合形变势理论的K ·P微扰法建立了在(001)晶面内受任意方向的单轴压/张应力作用时,应变硅材料的能带结构与应力(类型、大小)及晶向的关系模型,进而分析了不同单轴应力(类型、大小)及晶向对应变硅材料导带带边、价带带边、导带分裂能、价带分裂能、禁带宽度的影响.研究结果可为单轴应变硅器件应力及晶向的选择设计提供理论依据. 关键词： 单轴应变硅 K ·P法 能带结构     

Effect of external uniaxial stress on the electronic properties and symmetry of p-GaAs/AlxGa1−xAs quantum wells

Abstract

The results of experimental and theoretical investigations of the energy spectrum and electronic properties of symmetric p-[001] Al_0.5Ga_0.5As/GaAs/Al_0.5Ga_0.5As heterostruc-tures under uniaxial [110] compression are presented. The stress-induced piezoelectric field breaks the confining potential symmetry in the quantum well and lifts the degeneracy of the hole subbands. A redistribution of holes in the spin subbands of the ground state takes place, which is revealed in the different shifts of the Shubnikov-de Haas oscillation maxima corresponding to the different spin subbands. The [110] uniaxial compression significantly modifies the band structure, which leads to a strong aniso-tropy of the Fermi surface. The electrical resistance becomes strongly anisotropic under applied compression, decreasing in the direction parallel to the compression and increasing in the perpendicular direction.     

Anisotropy of Two-Dimensional Electron and Hole Mobilities in (0 0 1) GaAs/Al x Ga 1− x As Heterostructures Under Uniaxial Stress

Transport properties of two-dimensional electron and hole gas at (0 0 1) GaAs/Al x Ga 1 m x As heterointerface in [1 1 0] and [1 m 1 0] directions have been investigated for the first time under in plane uniaxial compression up to 5 kbar. Resistivity, Shubnikov-de Haas oscillations and Hall effect were measured and carrier densities and mobilities were determined. The in-plane uniaxial compression significantly modifies the energy spectrum of p-GaAs/Al x Ga 1 m x As that leads to strong anisotropy of hole mobility under compression. In the case of the n-type heterostructure uniaxial compression causes only change of the carrier concentration and the corresponding small change of the initial mobility anisotropy, determined by anisotropic surface roughness scattering.     

Ideal shear strength under compression and tension in C, Si, Ge, and cubic SiC: an ab initio density functional theory study

Ideal shear strength under superimposed normal stress of cubic covalent crystals (C, Si, Ge, and SiC) is evaluated by ab initio density functional theory calculation. Shear directions in [112] and [110] on the (111) plane are examined. The critical shear stress along the former direction is lower than that along the latter in all the crystals unless the hydrostatic tension is extremely high. In both the [112]-shear and [110]-shear, critical shear stress is increased by compression in C but is decreased in the other crystals. The different response of the critical shear stress to normal stress is due to the strength of the bond-order term, i.e., dependence of the short-range interatomic attraction on the bond-angle.     

In-plane anisotropy in two-dimensional electron gas at LaAlO_3/SrTiO_3(110) interface

A systematic study of the two-dimensional electron gas at La AlO_3/SrTiO_3(110) interface reveals an anisotropy along two specific directions, [001] and 1ī0. The anisotropy becomes distinct for the interface prepared under high oxygen pressure with low carrier density. Angular dependence of magnetoresistance shows that the electron confinement is stronger along the 1ī0 direction. Gate-tunable magnetoresistance reveals a clear in-plane anisotropy of the spin–orbit coupling,and the spin relaxation mechanism along both directions belongs to D'yakonov–Perel'(DP) scenario. Moreover, in-plane anisotropic superconductivity is observed for the sample with high carrier density, the superconducting transition temperature is lower but the upper critical field is higher along the 1ī0 direction. This in-plane anisotropy could be ascribed to the anisotropic band structure along the two crystallographic directions.     

尺寸相关的弹性常数对应变硅纳米线电学性质的影响

从Keating模型出发,基于离散化思想建立了计算单晶硅纳米线弹性常数和杨氏模量的半连续原子晶格力学模型. 从微扰理论和形变势理论出发,采用有限差分方法建立了计算不同晶向应变硅纳米线价带结构的数值模型. 结合上述的两个计算模型,进而应用经典弹道传输模型研究了轴向应力和弹性常数对p型硅纳米线弹道晶体管电学特性的影响. 研究结果表明,硅纳米线的弹性常数和杨氏模量呈现尺寸效应,该结果与分子动力学的模拟结果具有很好的一致性. 同时发现尺寸相关的弹性常数对硅纳米线晶体管输运电流的影响强烈依赖于单轴应力对输运电流的影 关键词： 应变硅纳米线 弹性常数 弹道电流 价带结构模型     

Lattice stability and the effect of Co and Re on the ideal strength of Ni:First-principles study of uniaxial tensile deformation

Using first-principles density functional calculations, lattice stability of γ-Ni under [001], [110], and [111] uniaxial tensions and the effect of alloying elements Co and Re on the uniaxial tensile behavior of γ-Ni were studied in this paper.With elastic constants and phonon spectra calculations, we examined the mechanical stability and phonon stability of Ni during the uniaxial tensions along the three characteristic directions. The results show that the mechanical stability and phonon stability of a lattice occurs before the maximum stress–strain point under the [001] and [111] tension, respectively.The effects of Co and Re on the ideal tensile strength of γ-Ni show a significant directivity: Co and Re have little effect on the stresses in [001] and [111] directions, but increases the ideal strength of the system in the weakest uniaxial tensile direction. Moreover, the strengthening effect of Re is significantly better than that of Co. By further analyzing electronic structure, it is found that the effect of alloying elements on the uniaxial tensile behavior of γ-Ni comes from their interactions with host atoms.     

Strain-induced changes to the electronic structure of germanium

Density functional theory calculations (DFT) are used to investigate the strain-induced changes to the electronic structure of biaxially strained (parallel to the (001), (110) and (111) planes) and uniaxially strained (along the [001], [110] and [111] directions) germanium (Ge). It is calculated that a moderate uniaxial strain parallel to the [111] direction can efficiently transform Ge to a direct bandgap material with a bandgap energy useful for technological applications.     

应变Si/(001)Si1-xGex空穴有效质量各向异性

基于应变Si/（001）Si_1-xGe_x材料价带E（k）-k关系模型,研究获得了其沿不同晶向的空穴有效质量.结果表明,与弛豫材料相比,应变Si/（001）Si_1-xGe_x材料价带带边（重空穴带）、亚带边（轻空穴带）空穴有效质量在某些k矢方向变化显著,各向异性更加明显.价带空穴有效质量与迁移率密切相关,该研究成 关键词： 应变Si 价带 空穴有效质量     

Phonon thermal transport in InAs nanowires with different size and growth directions

We investigate the phonon thermal transport properties in InAs nanowires with different size and growth directions by using nonequilibrium molecular dynamics methods. The results show a remarkable anisotropy for the thermal conductivity in InAs nanowire. It is found that the thermal conductivity along [110] growth direction is about three times larger than that along [100] or [111] direction. With the increase of temperature, the thermal conductivity along [110] direction decreases significantly. However, the thermal conductivity along other two directions is not sensitive to temperature. Moreover, we find a crossover from ballistic to ballistic-diffusive thermal transport for a certain length of InAs nanowire. A brief physical analysis of these results is given. It is suggested that the anisotropy of thermal conductivity is common for nanowires with zinc blende structures.