声子散射对载流子输运特性的影响

分析了晶格振动对固体材料中载流子输运特性的影响,重点阐述了长声学波对载流子的散射作用.使用玻尔兹曼输运理论描述了弱场下载流子的输运特性,给出了使用形变势散射和压电散射机制计算载流子迁移率的详细分析和具体公式.     

用Monte Carlo方法模拟闪锌矿相ZnS电子的输运特性

用Monte Carlo方法模拟闪锌矿相(zinc blende)ZnS电子的输运特性.实验采用的是非抛物线模型计算电子的能带结构,模拟包含了声学声子散射,极性光学声子散射,压电散射,电离杂质散射,能谷间散射以及自散射等散射机理.通过模拟得到了ZnS材料的平均漂移速度、平均电子能量随电场强度变化的曲线图,以及总散射率随电子能量变化图,并将结果与文献报道的模拟结果[1]进行比较得出:本实验方法具有模型简单,计算速度快,获得结果比较准确的优点.     

SiC电子霍耳迁移率的计算

基于对自身能带结构的分析以及各向同性弛豫时间近似法,采用三椭球等能面、抛物线性简化,建立了适于模拟n型6H-SiC电子霍耳迁移率和霍耳散射因子的解析模型,精确描述了不同散射机制对于6H-SiC低场电子输运特性的影响.计算结果与实测值有很好的一致性.     

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     

钎锌矿相GaN电子高场输运特性的Monte Carlo 模拟研究

应用全带多粒子Monte Carlo模拟方法,研究了钎锌矿相GaN 材料电子的高场输运特性. 模拟中利用了基于第一性原理总能量赝势方法计算得到的纤锌矿GaN的能带结构数据. 用Cartier的方法,计算碰撞电离散射率. 计算得到了电子平均漂移速度和电子平均能量与电场的关系曲线. 电离系数的分析表明当电场强度大于1 MV/cm时,才会有明显的碰撞电离发生,量子产额的分析表明当电子的能量大于7 eV时,量子产额随能量增加迅速增大. 研究了在0—4 MV/cm电场强度范围内电子在各导带的分布,低场下电子全部位于 关键词： 碰撞电离 高场输运 能带结构 Monte Carlo模拟     

基于有限元法分析宝石级金刚石的合成腔体温度场

以有限元法为理论分析手段模拟分析了温度梯度法合成宝石级金刚石大单晶的腔体温度场,实现了对宝石级金刚石的合成腔体内各位置温度同时测量.模拟结果表明:在宝石级金刚石合成过程中,其温度分布呈不均匀分布.腔体内高温区分布在样品(碳源+触媒)边缘,低温区分布在籽晶附近.样品腔内热量的传递方式和样品腔内的碳源输运方式相同,均由碳源的两侧向籽晶附近传输.籽晶附近轴向温度梯度大于径向温度梯度,导致单位时间内其轴向生长尺寸大于径向生长尺寸.宝石级金刚石腔体温度场分析的理论模型的成功构建,为新型宝石级金刚石腔体的研制提供了良好的设计基础,对促进优质宝石级金刚石的生长技术具有指导意义.     

锯齿形石墨烯反点网络加工与输运性质研究

具有特定边界的石墨烯纳米结构在纳电子学、自旋电子学等研究领域表现出良好的应用前景.然而石墨烯加工成纳米结构时,无序的边界不可避免地会降低其载流子迁移率.氢等离子体各向异性刻蚀技术是加工具备完美边界石墨烯微纳结构的一项关键技术,刻蚀后的石墨烯呈现出规则的近原子级平整的锯齿形边界.本文研究了氮化硼上锯齿形边界石墨烯反点网络的磁输运性质,低磁场下可以观测到载流子围绕着一个空位缺陷运动时的公度振荡磁阻峰.随着磁场的增大,朗道能级简并度逐渐增大,载流子的磁输运行为从Shubnikov-de Haas振荡逐渐向量子霍尔效应转变.在零磁场附近可以观测到反点网络周期性空位缺陷的边界散射所导致的弱局域效应.研究结果表明,在氮化硼衬底上利用氢等离子体刻蚀技术加工锯齿形边界石墨烯反点网络,其样品质量会明显提高,这种简单易行的方法为后续高质量石墨烯反点网络的输运研究提供了新思路.     

Se替代Te对BiCuTeO电热输运性能的影响

层状氧硫族化合物由于其本征的低晶格热导率和可观的热电性能吸引了广泛关注,其中以BiCuSeO化合物的热电性能最为优异.但是,其同晶型化合物BiCuTeO,由于带隙较小且存在大量本征Cu空位,导致载流子浓度较高,热电性能较差,从而研究较少.针对BiCuTeO存在的上述问题,本文利用Se替代部分Te,以期能够展宽带隙并减少Cu空位,提高其热电性能.采用固相反应结合快速热压烧结制备了BiCuTe_(1-x)Se_xO(x=0, 0.1, 0.2, 0.3和0.4)块体热电材料,并系统地研究了该体系的电热输运性能.研究结果表明,利用Se替代Te,可以使BiCuTeO导电层化学键强度增加、带隙增大、载流子有效质量增加以及载流子散射增强,从而导致载流子浓度和迁移率同时降低,进而电导率随着Se含量增加而剧烈降低, Seebeck系数则显著增大.由于综合电输运性能恶化,功率因子随着Se含量增加而减小,导致热电优值zT随着Se含量增加而降低.最终,Se含量为x=0.1的样品,在室温和723 K时的zT值分别达到约0.3和0.7,仍然在较宽温区内保持较高的zT值.由于Se替代Te改变了BiCuTeO的能带结构,通过载流子浓度优化,有望进一步提高其热电性能.     

纳米器件电流噪声的散射理论统一模型研究

传统散射理论在研究器件噪声特性时,并没有考虑非相干输运和库仑作用对散粒噪声的抑制,而在实际纳米器件中这两种效应不可忽略.本文基于散射区等效接触端模型推导了考虑上述两种效应的电流噪声散射理论统一模型,该模型适用于从相干输运到非相干输运的整个输运区,并同时考虑了泡利不相容原理和库仑作用对散粒噪声的抑制.本文也提出了一种基于统一模型的电流噪声数值模拟方法,该方法所得散射区特性与散射区等效接触端模型特性一致. 关键词： 电流噪声 散射理论 统一模型     

Ag偏离化学计量比Ag1-xPb18SbTe20材料的热电传输性能

采用熔融-淬火-放电等离子体烧结制备了Ag偏离化学计量比Ag1-xPb18SbTe20(x=0,0.25,0.50,0.75)样品,研究了Ag含量对样品热电传输性能的影响.结果表明,随Ag含量降低,样品中出现少量第二相Sb2Te3,样品载流子浓度增加到5×1018cm-3后不再增加.样品载流子迁移率随Ag含量降低先降低后增加,随着温度增加,载流子散射机理由电离杂质散射转变为声学波散射.随Ag含量降低,样品电导率增加而Seebeck系数降低,热导率增加.     

Electron transport in wurtzite InN

Using ensemble Monte Carlo simulation technique, we have calculated the transport properties of InN such as the drift velocity, the drift mobility, the average electron, energy relaxation times and momentum relaxation times at high electric field. The scattering mechanisms included scattering mechanisms are polar optical phonon, ionized impurity, acoustic phonon and intervalley phonon. It is found that the maximum peak velocity only occurs when the electric field is increased to a value above a certain critical field. This critical field is strongly dependent on InN parameters. The steady-state transport parameters are in fair agreement with other recent calculations.     

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.     

Temperature dependence of high field transport in ZnS

High field transport process in ZnS in the temperature range of (10–500) K was simulated by help of Monte Carlo method. The band structure of ZnS is described by analytical fitting of real band structure. Phonon scattering, spatial charge scattering, and impact ionization process are included in the simulation. The phonon scattering rates at different temperatures are calculated and compared. The transient acceleration time of electrons in ZnS is found to be temperature-independent. We attribute this result to the compensation of two opposite factors in ZnS. Average energy of electrons decreases with temperature.     

Intervalley scattering in GaAs: ab initio calculation of the effective parameters for Monte Carlo simulations

Interactions between excited electrons and short-wavelength (intervalley) phonons in GaAs are studied using density functional theory for the conduction bands, and density functional perturbation theory for phonon frequencies and matrix elements of the electron–phonon interaction. We have calculated the deformation potentials (DPs) and the average intervalley scattering time 〈τ〉. The integration of the scattering probabilities over all possible final states in the Brillouin zone has been performed without any ad hoc assumption about the behavior of the electron–phonon matrix elements nor the topology of the conduction band. For transitions from the L point to Γ valley (within the first conduction band), we find 〈τ〉_L to be 1.5 ps at 300 K, in good agreement with time-resolved photoluminescence experiment. We discuss the difference between our calculated DPs, and effective parameters used in Monte Carlo simulations of optical and transport properties of semiconductors. The latter are based on Conwell’s model, in which electron–phonon interaction is described by one single constant and a parabolic model is used for conduction bands. We deduce the effective DP from our 〈τ〉, and compare it to our calculated DPs. We conclude that only effective DPs obtained from a full calculation of 〈τ〉 are relevant parameters for Monte Carlo simulations. PACS 71.10-w; 72.10.Di; 71.55.Eq     

EACVD低温合成金刚石薄膜中非线性电场的数值模拟

采用蒙特卡罗模拟方法,研究了电子辅助热丝化学气相沉积(EACVD)技术低温合成金刚石薄膜过程中反应区的非线性电场分布.结果表明:阳极基片附近反应区电场的空间分布按指数规律变化,在一定的偏压条件下,随着气压的变化阳极附近将出现反向电场,对于金刚石薄膜的低温合成中的正离子分子,该反向电场起重要作用.     

Monte Carlo simulation of two-dimensional hot electrons in n-type Si inversion layers

Monte Carlo simulation is carried out to study high field transport of the two-dimensional electron gas formed on the (100) surface of silicon. Good agreement is obtained between the measured and calculated results. The saturation of the drift velocity is found to depend on the magnitude of the first-order intervalley phonon scattering.     

Monte Carlo Simulation of THz-Pulse Generation from Bulk GaAs Surface

An ensemble Monte Carlo simulation method has been used to study THz-pulse generation from semiconductor GaAs surface excited by a femtosecond laser pulse and biased in high electrical field near 100kV/cm. Electron transport is simulated using the three-valley conduction band model and taking into account acoustic, optical (polar and nonpolar) and intervalley phonon scattering mechanisms. Our simulations show that the THz temporal waveforms have a close relationship with the biased external field and the THz radiation is saturated with the increase of the biased field, these findings have not been exploited by the existing theoretical analyses. Power spectra show that the higher biased electrical field benefits the frequency extension for the THz radiation.