Ⅲ-Ⅴ族硼基化合物半导体反常热导率机理

采用基于玻尔兹曼输运方程的第一性原理计算方法深入研究了硼基Ⅲ-Ⅴ化合物的热导率性质,与Ⅳ族和Ⅲ-Ⅴ族半导体进行对比,发现砷化硼的高热导率主要来源于硼基Ⅲ-Ⅴ化合物中声学支和光学支之间存在一个很大的频率带隙,导致两个声学声子的能量要小于一个光学声子的能量,无法满足三声子散射的能量守恒要求,严重遏制了三声子散射几率.金刚石的高热导率主要来自其拥有极大的声学声子群速度.磷化硼虽然也拥有较大的声学声子群速度,但是其频率带隙比较小,无法有效遏制三声子散射,所以磷化硼的热导率小于砷化硼;尽管锑化硼的频率带隙与砷化硼相当,但是由于其拥有较小的声学声子群速度和较大的耦合矩阵元,导致锑化硼的热导率低于砷化硼.该研究为设计高热导率半导体材料提供了新的认识.     

纤锌矿相GaN空穴输运特性的Monte Carlo模拟研究

用全带多粒子Monte Carlo方法模拟纤锌矿相(Wurtzite)GaN空穴输运特性的结果. 用经验赝势法计算得到能带结构数据. 模拟包含了声学声子散射，光学声子散射，极性光学声子散射，压电散射，电离杂质散射及带间散射等散射机理. 计算得到了空穴沿3个主要对称方向上的空穴平均漂移速度和平均能量与电场强度的关系曲线，室温下漂移速度呈现饱和特性. 在所研究的电场范围内，最大平均漂移速度约为6×10⁶cm s^-1，最大空穴平均能量约为0.12eV, 这些值均比电子的相应参数低很多. 还给出了空穴的扩散迁移率与杂质浓度关系的模拟结果. 关键词： 蒙特卡罗 氮化镓 输运特性 能带结构     

AlGaN/GaN高电子迁移率晶体管中二维电子气的极化光学声子散射

Al Ga N/Ga N界面处的二维电子气迁移率是描述高电子迁移率晶体管特性的一个重要参数,极化光学声子散射是高温时限制二维电子气迁移率的主要散射机制.本文对极化光学声子散射进行计算,结果表明在二维电子气浓度为6×10~(11)—1×10~(13) cm~(–2),温度为200—400 K范围内,极化光学声子散射因素决定的迁移率随温度的变化近似为μPO=AT-α(α=3.5);由于Ga N中光学声子能量较大,吸收声子对迁移率的影响远大于发射声子的影响.进一步讨论了极化光学声子散射因素决定的迁移率随光学声子能量变化的趋势,表明增加极化光学声子能量可提高二维电子气的室温迁移率.     

微微秒时间间隔的晶格动力学

声学声子和光学声子的寿命以及寿命随温度、频率的变化影响固体的许多性质.例如,声学声子寿命对绝缘休、半导体和非晶固体的热输运性质的影响是极为重要的.光学声子的衰减动力学过程和光学声子与其它激发的耦合,对半导体的热电子输运,绝缘体中非平衡高频声学声子的产生等问题都起十分重要的作用.因此对声学及光学声子寿命的研究已成为固体物理中基本的和极感兴趣的课题. 高温下或在有短的平均自由程的材料中,声学声子激发的寿命通常是微微秒的范围.而频率为5—10THz的光学声子的寿命则是毫微微秒量级.最近两年,用微微秒与毫微微秒激光脉冲…     

纤锌矿氮化镓基阶梯量子阱中界面声子的色散谱与散射率

本文理论分析了纤锌矿GaN-基阶梯量子阱中的电子-界面光学声子散射性质。阶梯量子阱中的解析的界面声子态及Frhlich电子-声子相互作用哈密顿被导出了。在考虑强内建电场效应及能带的非抛物性特性的情况下,阶梯量子阱结构精确解析的电子本征态也被给出了。以一个四层纤锌矿AlN-基阶梯量子阱为例进行了数值计算。结果发现,系统中存在四支界面光学声子模,这一观察明显不同于对称的GaN/AlN单量子阱与双量子阱的情况。这一差异被归结为阶梯量子结构的非对称性。GaN-基阶梯量子阱中的子带内散射率与子带间散射率比GaAs-基阶梯量子阱的结果大一个数量级,这被归因于GaN-基晶体大的电子-声子耦合常数。GaN-基阶梯量子阱的子带内散射率表现出与GaAs-基体系类似的结构参数依赖关系,但两类体系的子带间散射率对阶梯量子阱结构参数依赖则明显不同,这被归结为GaN-基阶梯量子阱结构中强的内建电场效应及带的非抛物性。结果还表明,高频界面声子模相对于低频界面声子模,对散射率的贡献更大。     

亚微米DSOI MOSFET非平衡热电耦合模拟

本文利用电子-光学声子-声学声子散射非平衡能量热电耦合模型数值模拟了DSOI MOSFET,得到了器件静电势、电子浓度和温度分布、声子温度等分布,分析了其热电性质。结果表明在栅极靠漏区是器件热电特性变化最为显著,DSOI器件自热效应很小,具有很好的热电特性,在亚微米器件中的确存在非平衡能量状态。     

SiC电子输运特性的Monte Carlo数值模拟

利用系综MonteCarlo法研究了2H ,4H和6HSiC的电子输运特性.在模拟中考虑了对其输运过程有着重要影响的声学声子形变势散射、极化光学声子散射、谷间声子散射、电离杂质散射以及中性杂质散射.通过计算,获得了低场下这几种不同SiC多型电子迁移率同温度的关系,并以4H SiC为例,重点分析了中性杂质散射的影响.最后对高场下电子漂移速度的稳态和瞬态变化规律进行了研究.将模拟结果同已有的实验数据进行了比较,发现当阶跃电场强度为10×106V·cm-1时,4H Sic电子横向瞬态速度峰值接近33×107cm·s^-1,6H Sic接近30×107cm·s^-1.     

纤锌矿In_(0.19)Ga_(0.81)N/GaN量子阱中光学声子和内建电场对束缚极化子结合能的影响

用改进的Lee-Low-Pines变分方法研究纤锌矿In0.19Ga0.81N/GaN量子阱结构中束缚极化子能量和结合能等问题,给出基态结合能、不同支长波光学声子对能量和结合能的贡献随阱宽和杂质中心位置变化的数值结果.在数值计算中包括了该体系中声子频率的各向异性和内建电场对能量和结合能的影响、以及电子和杂质中心与长波光学声子的相互作用.研究结果表明,In0.19Ga0.81N/GaN量子阱材料中光学声子和内建电场对束缚极化子能量和结合能的贡献很大,它们都引起能量和结合能降低.结合能随着阱宽的增大而单调减小,窄阱中减小的速度快,而宽阱中减小的速度慢.不同支声子对能量和结合能的贡献随着阱宽的变化规律不同.没有内建电场时,窄阱中,定域声子贡献小于界面和半空间声子贡献,而宽阱中,定域声子贡献大于界面和半空间声子贡献.有内建电场时,定域声子贡献变小,而界面和半空间声子贡献变大,声子总贡献也有明显变化.在In0.19Ga0.81N/GaN量子阱中,光学声子对束缚极化子能量和结合能的贡献比GaAs/Al0.19Ga0.81As量子阱中的相应贡献(约3.2—1.8和1.6—0.3 meV)约大一个数量级.阱宽(d=8 nm)不变时,在In0.19Ga0.81N/GaN量子阱中结合能随着杂质中心位置Z0的变大而减小,并减小的速度变快.随着Z0的增大,界面和半空间光学声子对结合能的贡献缓慢减小,而定域光学声子的贡献缓慢增大.     

钽酸锂晶体的喇曼光谱及其方向色散的测定

为了测定钽酸锂铁电晶体异常声子的方向色散,我们找到一种较为满意的直角散射几何配置,制备了十个不同取向的样品,并为消除内反射光引起的附加散射,在样品表面上镀了增透膜,获得了波夫与光轴成不同夹角时的一系列寻常声子和异常声子的喇曼光谱.对这些喇曼光谱进行了识别,认定了四个A_1光学声子和九个E光学声子,确定了十三个异常声子方向色散支.由于全部异常声子的散射峰能始终一起出现在同一喇曼光谱中,使得异常声子方向色散的确定一目了然.最后用单轴晶体异常声子方向色散公式计算了异常声子的方向色散曲线,实验与理论计算相当符合.     

极性半导体的表面电子

有不少的极性半导休,电子与表面声学声子和体纵光学声子的耦合弱,但与表面光学声手的耦台强.本文同时考虑体纵光学声子、表面光学声子以及表面声学声予的影响,研究这类半导体的表面电予的性质,采用线性组合算符和拉格朗日乘子法,导出其有效哈密顿量和重正化质量。     

Low-field carrier transport properties in biased bilayer graphene

Based on a semiclassical Boltzmann transport equation in random phase approximation, we develop a theoretical model to understand low-field carrier transport in biased bilayer graphene, which takes into account the charged impurity scattering, acoustic phonon scattering, and surface polar phonon scattering as three main scattering mechanisms. The surface polar optical phonon scattering of carriers in supported bilayer graphene is thoroughly studied using the Rode iteration method. By considering the metal–BLG contact resistance as the only one free fitting parameter, we find that the carrier density dependence of the calculated total conductivity agrees well with that observed in experiment under different temperatures. The conductivity results also suggest that in high carrier density range, the metal–BLG contact resistance can be a significant factor in determining the BLG conductivity at low temperature, and both acoustic phonon scattering and surface polar phonon scattering play important roles at higher temperature, especially for BLG samples with a low doping concentration, which can compete with charged impurity scattering.     

Effects of non-equilibrium polar optic phonons and the band non-parabolicity on small signal high-frequency hot electrons ac mobility in narrow gap semiconductors in high magnetic fields

The small signal high-frequency ac mobility of hot electrons in n-HgCdTe in the extreme quantum limit at low and high temperatures have been calculated considering the non-equilibrium phonon distribution as well as the thermal phonon distribution .The energy loss rate has been calculated considering only optical phonon scattering while the momentum loss rate has been calculated considering acoustic phonon scattering and piezoelectric scattering together with polar optical phonon scattering and separately considering only the polar optical scattering. The results have been discussed and compared. It has been observed that at 20 K, the normalized mobility considering all the three scattering mechanisms differs appreciably from that considering only the polar optical phonon scattering. However, at 77 K, there is no difference in the normalized mobility. This establishes the fact that at higher temperature, the effect of acoustic phonon scattering and piezoelectric coupling is negligible, compared to the polar optical phonon scattering. So the ac mobility considering only polar optical phonon scattering has been studied at 77 and 20 K. The ac mobility is found to remain constant up to 100 GHz and thereafter it started decreasing at higher frequencies at 77 K whereas the ac mobility reduces at much lower frequencies at lower temperature at lower field. The non-parabolicity of the band structure enhances the normalized mobility.     

Phonons and the electronic gap in FeSi

The partial phonon densities of states of iron atoms in the intermetallic compound FeSi have been measured in the temperature range 46–297 K using nuclear resonant inelastic scattering of synchrotron radiation. A significant phonon softening with increasing temperature has been established. The greatest phonon softening for iron atoms is shown to occur in the region of long-wavelength acoustic phonons, for the acoustic branches near the boundary of the Brillouin zone, and for the low-lying weakly dispersive optical branches. The results obtained are analyzed in terms of the views that relate the change in the phonon density of states of iron atoms to the temperature evolution of the electronic density of state for the compound.     

Contact and phonon scattering effects on quantum transport properties of carbon-nanotube field-effect transistors

We investigated the phonon scattering effects on the transport properties of carbon nanotube devices with micron-order lengths at room temperature, using the time-dependent wave-packet approach based on the Kubo formula within a tight-binding approximation. We studied the scattering effects of both the longitudinal acoustic and the optical phonons on the transport properties. The conductance of semiconducting nanotubes is decreased by the acoustic phonon, instead of the optical phonon. Furthermore, we clarified how the electron mobilities of the devices are affected by the acoustic phonon.     

Determination of the LO phonon energy by using electronic and optical methods in AlGaN/GaN

The longitudinal optical (LO) phonon energy in AlGaN/GaN heterostructures is determined from temperature-dependent Hall effect measurements and also from Infrared (IR) spectroscopy and Raman spectroscopy. The Hall effect measurements on AlGaN/GaN heterostructures grown by MOCVD have been carried out as a function of temperature in the range 1.8-275 K at a fixed magnetic field. The IR and Raman spectroscopy measurements have been carried out at room temperature. The experimental data for the temperature dependence of the Hall mobility were compared with the calculated electron mobility. In the calculations of electron mobility, polar optical phonon scattering, ionized impurity scattering, background impurity scattering, interface roughness, piezoelectric scattering, acoustic phonon scattering and dislocation scattering were taken into account at all temperatures. The result is that at low temperatures interface roughness scattering is the dominant scattering mechanism and at high temperatures polar optical phonon scattering is dominant.     

High-field quasiballistic transport in short carbon nanotubes

Single walled carbon nanotubes with Pd Ohmic contacts and lengths ranging from several microns down to 10 nm are investigated by electron transport experiments and theory. The mean-free path (MFP) for acoustic phonon scattering is estimated to be l(ap) approximately 300 nm, and that for optical phonon scattering is l(op) approximately 15 nm. Transport through very short (approximately 10 nm) nanotubes is free of significant acoustic and optical phonon scattering and thus ballistic and quasiballistic at the low- and high-bias voltage limits, respectively. High currents of up to 70 microA can flow through a short nanotube. Possible mechanisms for the eventual electrical breakdown of short nanotubes at high fields are discussed. The results presented here have important implications to high performance nanotube transistors and interconnects.     

Effects of dislocations on small signal high frequency hot electron mobility in n-GaN at low and high temperatures under high magnetic fields including hot phonon effect

The small signal high-frequency ac mobility of hot electrons in n-GaN in the extreme quantum limit at low- and high-temperatures has been calculated considering the non-equilibrium phonon distribution as well as the thermal phonon distributions. The energy loss rate has been calculated considering the dominance of the piezo electric coupling scattering and the polar optical phonon scattering while the momentum loss rate has been calculated considering the acoustic phonon scattering via deformation potential and the piezo electric coupling and the dislocation scattering.     

Carrier mobility and relaxation time in BiCuSeO

To obtain thermoelectric properties of materials, a constant relaxation time approximation is generally employed. By employing deformation potential theory, a derivation of relaxation time and carrier mobility of BiCuSeO system is proposed combining with density functional theory calculation. And the inter-valley scattering, acoustic phonon scattering and ionized impurity scattering were considered in the model. The calculated values of relaxation time and carrier mobility in BiCuSeO are in good agreement with the results of experiment. The results suggest that acoustic phonon scattering is in dominant and the constant relaxation time approximation is reasonable in lightly doped sample, and the ionized impurity scattering play a significant role in heavily doped system.     

Coherent phonon excitation in bismuth

Ultrafast time-resolved reflectivity of a bismuth thin film evaporated on a silicon substrate is measured to investigate coherent phonons in bismuth. The reflectivity result is analyzed by a linear chirp approximation to obtain the time dependent frequencies of coherent phonons. Not only the optical modes are detected, which are generated by a combination of impulsive stimulated Raman scattering and displacive excitation of coherent phonon, acoustic phonon modes are also observed, which are emitted by the A_1g optical phonon.