应变Si/(001)Si1-xGex电子迁移率

依据离化杂质散射、声学声子散射和谷间散射的散射模型,在考虑电子谷间占有率的基础上,通过求解玻尔兹曼方程计算了不同锗组分下,不同杂质浓度时应变Si/(001)Si_1-xGe_x的电子迁移率.结果表明:当锗组分达到0.2时,电子几乎全部占据Δ₂能谷;低掺杂时,锗组分为0.4的应变Si电子迁移率与体硅相比增加约64%;对于张应变Si NMOS器件,从电子迁移率角度来考虑不适合做垂直沟道.选择相应的参数,该方 关键词： 电子谷间占有率 散射模型 锗组分 电子迁移率     

N型掺杂应变Ge发光性质

应变锗材料具有准直接带特性,而且与标准硅工艺兼容,成为实现硅基发光器件重要的候选材料之一.本文基于vandeWalle形变势理论,计算了应变情况下半导体Ge材料的能带结构以及载流子在导带中的分布;通过分析载流子直接带和间接带间的辐射复合以及俄歇复合、位错等引起的非辐射复合的竞争,计算了N型掺杂张应变Ge材料直接带跃迁的内量子效率和光增益等发光性质.结果表明,张应变可有效增强Ge材料直接带隙跃迁发光.在1.5%张应变条件下,N型掺杂Ge的最大内量子效率可以达到74.6%,光增益可以与III-V族材料相比拟.     

p型掺杂Si/Ge量子点的电子拉曼散射(英文)

在本文中我们首次报道了p型掺杂的自组织Si/Ge量子点中空穴能级子带间的电子拉曼散射,此电子跃迁的能量为105meV。Si/Ge量子点Ge Ge模的共振拉曼散射表明此空穴能级间的电子拉曼散射与Γ点附近的E0(≈2.52eV)发生了共振,而E1的能量小于2.3eV.变温实验和偏振实验进一步证实了我们的指认。所有观测的实验数据与6 bandk·p能带结构理论的计算结果吻合得很好。     

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.     

Si基IV族异质结构发光器件的研究进展

Si基光互连具有高速度、高带宽、低功耗、可集成等特点, 有望解决集成电路的集成度在日益提高时电互连带来的问题. 在Si基光互连的关键器件中, 除了Si基光源尚未得到解决, 其他器件都已经实现, 因此Si基可集成高效光源具有十分重要的研究意义. 同为IV族元素的Ge 和GeSn因其与Si的可集成性及其独特的能带结构有望成为Si基光电集成回路中的光源. 虽然Ge是间接带隙材料, 但通过引入张应变、n型重掺杂, 或者引入Sn形成GeSn合金等能带工程手段来提高发光效率. 近年来, Si 基IV族发光材料和发光器件有许多重要进展, 本文就Si基Ge, GeSn材料发光研究中的几个关键技术节点——应变工程、掺杂技术、理论模型和器件研究——回顾了近几年国际和国内的研究进展, 并展望了Si基IV族激光器的发展趋势.     

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.     

形变超晶格Si/Ge的能带结构

用经验的紧束缚方法对短周期的(Si)_n/(Ge)_m形变超晶格的电子态进行了计算。结果表明,由于布里渊区折迭的要求,只有当n+m=10时超晶格才可能产生直接能隙。对周期为n+m=10的超晶格,Γ,N,△处的导带谷间的相对位置对直接能隙的形成具有决定作用,而n的大小与衬底的组分对此有极大影响。(Si)₆/(Ge)₄和(Si)₈/(Ge)₂超晶格在Si_1-xG 关键词：     

ZnS型薄膜电致发光器件中能谷转移过程的蒙特卡罗模拟

计算了ZnS中电子谷间散射的速率.利用蒙特卡罗方法,研究了ZnS型薄膜电致发光器件中电子的能谷转移过程.得出了能谷转移的瞬态过程,电场对谷间分布的影响以及不同能谷中电子动能分布的特点.提出了高能谷的能量存储效应.这些结果可作为研究电致发光过程的基本数据.     

二维共价有机骨架中的直接激子和间接激子

本文利用基于GW方法和Bethe-Salpeter方程的第一性原理计算，研究了两种二维共价有机骨架材料(COF)的激发态性质. 单层COF是直接带隙材料，而体相COF呈现间接带隙. 根据直接激子计算的体相COF的光学带隙和吸收光谱与实验一致，而由位于导带底的光生电子和位于价带顶的空穴形成的间接激子能量的理论计算值远低于实验荧光光谱的测量值. 研究表明，可以排除间接带隙COF材料的发光由声子主导的可能性. 研究认为体相COF的发光可能源于缺陷处直接激子的复合. 体相COF的AA堆叠结构导致其带隙是间接的. 如果将堆叠方式由AA变成AB，体相COF将转变成直接带隙材料，它的发光效率可能会增强.     

突破间接带局限创新Si基激光器

Si基高效发光与受激光发射是Si基光子学突破性发展的关键课题,它的实现对Si基微电子学的发展有深远的重大意义．由于受到天然Si材料间接带能带结构的限制,Si材料的发光效率极低,更谈不上可实现受激光发射,人工改性就成为当代研究、开拓的主要途径．新的Si基直接带体材料(如β-FeSi2等)的探索,Ge／Si量子阱、超晶格、量子点的能带工程介观改性,子带发光跃迁的探索,异类元素插入短周期超晶格中的化学键改性,以及SiO2高浓度nc-Si的生成和高激活度稀土离子的掺入发光等已开展了多途径的研究,不同程度上取得了重要的进展,一种MIS结构电子隧道注入高效发光器件已在SiO2：RE MOS结构中实现．运用激光器件物理的深入设计和新的器件技术的引入,可以预计本世纪初叶,对实现Si基激光器的奢望将会成为现实,无疑它对Si基光子学、Si基集成光电子学乃至信息高科技的发展将作出历史性的巨大贡献．     

简并态锗在大注入下的自发辐射谱模拟

基于费米狄拉克模型模拟了应变、温度以及掺杂对简并态锗的直接带自发辐射谱的影响.随着温度升高,更多的电子被激发到导带中,使得锗自发辐射谱的峰值强度和积分强度随温度的升高而增大.对自发辐射谱峰值强度的m因子进行计算,结果表明张应变可以显著提高锗自发辐射的温度稳定性.在相同应变水平下,由Γ-hh跃迁引起的自发辐射谱峰值强度大于Γ-lh跃迁引起的自发辐射谱峰值强度,但二者的积分强度几乎相等.此外,计算结果还证明了n型掺杂能显著提高锗的自发辐射强度.以上结果对于研究简并态半导体的自发辐射性质有重要的参考意义.     

Phonon Band Filling and Photon Emission by Phonons

Phonon generation by electrons is supplied in n-type Si crystals in electric fields E100 kV/cm at the lattice temperature of 80 K employing the ensemble Monte Carlo technique. Electron transfer between equivalent energy valleys is accounted for the g-type- and f-type phonon absorption and emission. Acoustic phonons are accounted for the quasi-elastic scattering of electrons within the energy valleys. Excess phonon number is determined using numerical data on phonon generation rate and experimental values of phonon lifetimes. The feasibility of stimulated emission of infrared-range photons due to direct optical transitions between the phonon bands is discussed.     

Phonon Limited Electron Mobility in Germanium FinFETs:Fin Direction Dependence

We investigate the phonon limited electron mobility in germanium(Ge) fin field-effect transistors(FinFETs)with fin rotating within(001),(110),and(111)-oriented wafers. The coupled Schrodinger-Poisson equations are solved self-consistently to calculate the electronic structures for the two-dimensional electron gas, and Fermi's golden rule is used to calculate the phonon scattering rate. It is concluded that the intra-valley acoustic phonon scattering is the dominant mechanism limiting the electron mobility in Ge FinFETs. The phonon limited electron motilities are influenced by wafer orientation, channel direction, in thickness Wfin, and inversion charge density Ninv. With the fixed Wfin, fin directions of(110),(112) and(110) within(001),(110), and(111)-oriented wafers provide the maximum values of electron mobility. The optimized for mobility is also dependent on wafer orientation and channel direction. As Ninv, increases, phonon limited mobility degrades, which is attributed to electron repopulation from a higher mobility valley to a lower mobility valley as Ninv increases.     

Effect of nonpolar optical phonon scattering on free-carrier absorption in heavily doped n-type germanium

The effect of nonpolar optical phonon scattering on the free-carrier absorption in n-type semiconductors such as germanium has been investigated quantum mechanically in quantizing magnetic fields. It is assumed that the energy band of electrons in semiconductors is nonparabolic and the dominant scattering mechanism for electrons in solids is that of nonpolar optical phonon scattering. When the radiation field is polarized parallel to the magnetic field, the absorption coefficient will be of complex value due to the interaction of the radiation field and the optical phonon field with electrons in semiconductors. Results show that real and imaginary parts of the absorption coefficient oscillate quite considerably with the magnetic field in the high fields for the heavily doped n-type Ge. Both real and imaginary parts of the absorption coefficient appear as positive and negative values when changing the magnetic field. In low magnetic fields, the imaginary part of the absorption coefficient disappears. However, if the density of electrons increases, the imaginary part of the absorption coefficient will increase with the magnetic field in low fields. Moreover, it is also shown that the amplitudes of oscillations for the real and imaginary parts of the absorption coefficient do not vary in a regular trend with the density of electrons.     

Inter- and intra-subband relaxation of hot electrons in GaAs/AlGaAs quantum wells

In this work, we have studied the inter- and intra-subband scattering of hot electrons in quantum wells using the hot electron-neutral acceptor luminescence technique. We have observed direct evidence of the emission of confined optical phonons by hot electrons excited slightly above the n=2 subband in GaAs/Al_0.37Ga_0.63As quantum wells. Scattering rates of photoexcited electrons via inter- and intra-subband LO phonon emission were calculated based on the dielectric continuum model. We found that, for wide wells with the Al composition of our experiments, both the calculated and experimental results suggest that the scattering of the electrons is dominated by the confined LO phonon mode. In the calculations, scatterings among higher subbands are also dominated by the same type of phonon at well width of 10 nm.     

Diffusion process of electrons injected from STM tip into AlGaAs/GaAs quantum wells

We have investigated the electron diffusion process in Al_0.3Ga_0.7As/GaAs quantum well (QW) structures by means of scanning tunneling microscope light emission (STM-LE) spectroscopy. The optical measurements were performed on a cleaved (1 1 0) surface at room temperature. The STM-LE spectra were measured by injecting hot electrons from the tip positioned at different distances from the QWs. The emission intensity from individual wells as a function of the tip-well distance was found to decay with two distinct decay constants. From comparison with Monte Carlo simulations for hot electron relaxation, we found that the intervalley scattering from the Γ valley to the L and X valleys has the most significant effect on the diffusion process of the injected electrons.     

The Theoretical Calculation of Elastic Constants and Phonon Dispersion Curves of Ca0.86Sr0.14CuO2

The lattice dynamical properties of Ca_0.86Sr_0.14CuO₂ are studied with a shell model. Its elastic constants and phonon dispersion curves are predicted. The calculated optical mode frequencies in Γ point are in reasonable agreement with infrared spectra, except an Azu symmetry mode around 180 cm^-1. Our calculated results can serve as guide for further experimental investigation.     

Sb、Ce掺杂Mg2Ge的第一性原理研究

此文用基于密度泛函理论(DFT)的第一性原理赝势平面波方法系统的计算了Sb、Ce掺杂Mg₂Ge的能带结构、态密度以及光学性质,获得了Mg₂Ge掺杂Sb后,费米面进入导带,呈现n型导电;Mg₂Ge掺杂Ce后,上自旋电子在费米能级附近处的价带和导带有一部分重叠,呈现半金属特性,进入导带电子数目增多,导电性增强. Sb、Ce掺杂Mg₂Ge后,其主要吸收峰都小于未掺杂Mg₂Ge,在可见光区域的透过率增大;Sb掺入后,在能量低于2.6 eV反射谱出现红移,Ce掺入后Mg₂Ge的吸收范围明显宽于本征Mg₂Ge;掺杂改善了Mg₂Ge对红外光子的吸收等有益结果.