Valence band structure and density of states effective mass model of biaxial tensile strained silicon based on k·p theory

After constructing a stress and strain model, the valence bands of in-plane biaxial tensile strained Si is calculated by k·p method. In the paper we calculate the accurate anisotropy valance bands and the splitting energy between light and heavy hole bands. The results show that the valance bands are highly distorted, and the anisotropy is more obvious. To obtain the density of states (DOS) effective mass, which is a very important parameter for device modeling, a DOS effective mass model of biaxial tensile strained Si is constructed based on the valance band calculation. This model can be directly used in the device model of metal-oxide semiconductor field effect transistor (MOSFET). It also a provides valuable reference for biaxial tensile strained silicon MOSFET design.     

基于锡组分和双轴张应力调控的临界带隙应变Ge_(1-x)Sn_x能带特性与迁移率计算

能带工程通过改变材料的能带结构可以显著提升其电学和光学性质,已广泛应用于半导体材料的改性研究.双轴张应力和Sn组分共同作用下的Ge_(1-x)Sn_x合金,不仅可以解决直接带隙转变所需高Sn组分带来的工艺难题,而且载流子迁移率会显著提升,在单片光电集成领域有很好的应用前景.根据形变势理论,分析了(001)面双轴张应变Ge_(1-x)Sn_x的带隙转变条件,并给出了在带隙转变临界点Sn组分和双轴张应力的关系;采用8κ·p方法,得到了临界带隙双轴张应变Ge_(1-x)Sn_x在布里渊区中心点附近的能带结构,进而计算得到电子与空穴有效质量;基于载流子散射模型,计算了电子与空穴迁移率.计算结果表明:较低Sn组分和双轴张应力的组合即可得到直接带隙Ge_(1-x)Sn_x合金,且直接带隙宽度随着应力的增大而减小;临界带隙双轴张应变Ge_(1-x)Sn_x具有极高的电子迁移率,空穴迁移率在较小应力作用下即可显著提升.考虑工艺实现难度和材料性能两个方面,可以选择4%Sn组分与1.2 GPa双轴张应力或3%Sn组分与1.5 GPa双轴张应力的组合用于高速器件和光电器件的设计.     

Theoretical studies of polarization dependent electro-optical modulation in lattice matched and strained multi-quantum well structures

We report on polarization dependent optical absorption for excitonic and interband transitions in lattice matched (GaAs/AlGaAs) and strained (biaxial tensile strain - GaAsP/AlGaAs; biaxial compressive strain - InGaAs/AlGaAs) multiquantum well structures in the presence of transverse electric fields. The hole states are solved by using the Kohn-Luttinger Hamiltonian and using an eigenvalue technique. The effect of heavy-hole and light-hole mixing due to the strain, electric field and quantization is studied. Under biaxial tensile strain the heavy-hole and light-hole transition can coincide, leading to interesting polarization dependent effects. Results are presented for excitonic and interband transitions.     

(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.     

Hole mobility enhancement in uniaxial stressed Ge dependence on stress and transport direction

Utilizing a six-band k.p valence band calculations that considered a strained perturbation Hamiltonian, uniaxial stress-induced valence band structure parameters for Ge such as band edge energy shift, split, and effective mass were quantitatively evaluated. Based on these valence band parameters, the dependence of hole mobility on uniaxial stress (direction, type, and magnitude) and hole transport direction was theoretical studied. The results show that the hole mobility had a strong dependence on the transport direction and uniaxial stress. The hole mobility enhancement can be found for all transport directions and uniaxial stess configurations, and the hole transport along the [110] direction under the uniaxial [110] compressive stress had the highest mobility compared to other transport directions and stress configurations.     

应变Ge/Si1-xGex 价带色散模型

基于k·p微扰理论, 通过引入应变哈密顿量作为微扰, 建立了双轴应变Ge/Si_1-xGe_x价带色散关系模型. 模型适于任意晶向弛豫Si_1-xGe_x虚衬底上的应变Ge价带结构, 通过该模型可获得任意k方向应变Ge的价带结构和空穴有效质量. 模型的Matlab模拟结果显示, 应变Ge/Si_1-xGe_x价带带边空穴有效质量随Ge组分的增加而减小, 其各向异性比弛豫Ge更加显著. 本文研究成果对Si基应变Ge MOS器件及集成电路的沟道应力与晶向的设计有参考价值.     

Investigation of strain effect on the hole mobility in GOI tri-gate pFETs including quantum confinement

The strain impact on hole mobility in the GOI tri-gate pFETs is investigated by simulating the strained Ge with quantum confinement from band structure to electro-static distribution as well as the effective mobility. Lattice mismatch strain induced by HfO2 warps and reshapes the valence subbands, and reduces the hole effective masses. The maximum value of hole density is observed near the top comers of the channel. The hole density is decreased by the lattice mismatch strain. The phonon scattering rate is degraded by strain, which results in higher hole mobility.     

Study of valence intersubband absorption in tensile strained Si/SiGe quantum wells

The hole subband structures and effective masses of tensile strained Si/Sil-yGey quantum wells are calculated by using the 6 × 6 k·p method. The results show that when the tensile strain is induced in the quantum well, the light-hole state becomes the ground state, and the light hole effective masses in the growth direction are strongly reduced while the in-plane effective masses are considerable. Quantitative calculation of the valence intersubband transition between two light hole states in a 7nm tensile strained Si/Si0.55Ge0.45 quantum well grown on a relaxed Si0.5Ge0.5 （100） substrates shows a large absorption coefficient of 8400 cm^-1.     

Retarded thermal oxidation of strained Si substrate

Strained Si is recognized as a necessary technology booster for modern integrated circuit technology. However, the thermal oxidation behaviors of strained Si substrates are not well understood yet despite their importance. In this study,we for the first time experimentally find that all types of strained Si substrates(uniaxial tensile, uniaxial compressive,biaxial tensile, and biaxial compressive) show smaller thermal oxidation rates than an unstrained Si substrate. The possible mechanisms for these retarded thermal oxidation rates in strained Si substrates are also discussed.     

Electronic and optical properties of ZnO thin film under in-plane biaxial strains: Ab initio calculation

The full regions of the electronic and optical properties of in-plane biaxial strained thin film ZnO are studied using pseudopotential plane-wave method. The fundamental band gap at the Γ point increase linearly with the increase of tensile strains, but decreased with the compressive ones. The strains affected the local tetrahedral symmetry, and so the splitting of crystal field energy. The band dispersion relation of the valence band maximum changes with the strains, which means the residual strains have effects on the effective hole mass, thus the transportation properties of the p-type ZnO. The changes tendency of optical properties up to full regions under strains have been shown and discussed.     

Strain Effect on the Absorption Threshold Energy of Silicon Circular Nanowires

In this work,the influence of strain on threshold energy of absorption in Silicon circular nanowires is investigated.For this purpose,we first have used the density functional theory(DFT) to calculate the electron and hole effective masses.Then,we have obtained absorption threshold energy with two different procedures,DFT and effective mass approximation(EMA).We have also obtained the band structures of Si nanowires both DFT and EMA.The results show that:i) the expansive strain increases the hole effective mass while compressive strain increases the electron effective mass,ii) the electron and hole effective masses reduce with decreasing the wire size,iii) the absorption threshold energy decreases by increasing strain for compressive and tensile strain and its behavior as a function of strain is approximately parabolic,iv) the absorption threshold energy(for all sizes) obtained using EMA is greater than the DFT results.     

Numerical study on optical and electrical properties of strained GaInSb/GaInAlSb mid-infrared quantum well laser

The optical and electrical properties of compressively strained GaInSb/GaInAlSb mid-infrared quantum well lasers are numerically studied solving one-dimensional Schrödinger equation using finite difference method. The simulation results demonstrate that band-mixing effects and effective mass of hole are reduced when the well is compressively strained. The strain-dependent optical and differential gains are evaluated for 0.6, 0.9, 1.21, and 1.52% compressively strained quantum well and found maximum when well is strained by 1.52%. The emission wavelength for the proposed laser can be tuned from 2.40 to 2.26 μm due to change in compressive strain from 0.60 to 1.52% at temperature 300 K. For the range of strain, the shift in wavelength is found from 2.38 to 2.24 μm at temperature 275 K. The results obtained from PSPICE simulation indicate that, the optical output power and threshold current are strongly depend on the number of wells and found to be almost constant for the number of wells three and above.     

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     

应变Si价带色散关系模型

基于K.P理论框架,通过引入应变哈密顿微扰项,详细推导并建立了应变Si的价带色散关系模型.所得模型适用于任意晶向弛豫Si_1－xGe_x(0≤x≤0.6)衬底上生长的应变Si,并且,通过该模型可以获取任意K矢方向的应变Si价带结构及空穴有效质量,对器件研究设计可提供有价值的参考. 关键词： 应变Si K.P理论 色散关系     

Effect of interface roughness on the carrier transport in germanium MOSFETs investigated by Monte Carlo method

Interface roughness strongly influences the performance of germanium metal--organic--semiconductor field effect transistors (MOSFETs). In this paper, a 2D full-band Monte Carlo simulator is used to study the impact of interface roughness scattering on electron and hole transport properties in long- and short- channel Ge MOSFETs inversion layers. The carrier effective mobility in the channel of Ge MOSFETs and the in non-equilibrium transport properties are investigated. Results show that both electron and hole mobility are strongly influenced by interface roughness scattering. The output curves for 50~nm channel-length double gate n and p Ge MOSFET show that the drive currents of n- and p-Ge MOSFETs have significant improvement compared with that of Si n- and p-MOSFETs with smooth interface between channel and gate dielectric. The $82\%$ and $96\%$ drive current enhancement are obtained for the n- and p-MOSFETs with the completely smooth interface. However, the enhancement decreases sharply with the increase of interface roughness. With the very rough interface, the drive currents of Ge MOSFETs are even less than that of Si MOSFETs. Moreover, the significant velocity overshoot also has been found in Ge MOSFETs.     

Numerical method for a 2D drift diffusion model arising in strained n-type MOSFET device

This paper reports the calculation of electron transport in metal oxide semiconductor field effects transistors (MOSFETs) with biaxially tensile strained silicon channel. The calculation is formulated based on two-dimensional drift diffusion model (DDM) including strain effects. The carrier mobility dependence on the lateral and vertical electric field model is especially considered in the formulation. By using the model presented here, numerical method based on finite difference approach is performed. The obtained results show that the presence of biaxially tensile strain enhances the current in the devices.     

Strong anti-strain capacity of CoFeB/MgO interface on electronic structure and state coupling

Electronic structure and spin-related state coupling at ferromagnetic material(FM)/MgO(FM = Fe, CoFe, CoFeB)interfaces under biaxial strain are evaluated using the first-principles calculations. The CoFeB/MgO interface, which is superior to the Fe/MgO and CoFe/MgO interfaces, can markedly maintain stable and effective coupling channels for majorityspin ?_1 state under large biaxial strain. Bonding interactions between Fe, Co, and B atoms and the electron transfer between Bloch states are responsible for the redistribution of the majority-spin ?_1 state, directly influencing the coupling effect for the strained interfaces. Layer-projected wave function of the majority-spin ?_1 state suggests slower decay rate and more stable transport property in the CoFeB/MgO interface, which is expected to maintain a higher tunneling magnetoresistance(TMR) value under large biaxial strain. This work reveals the internal mechanism for the state coupling at strained FM/MgO interfaces. This study may provide some references to the design and manufacturing of magnetic tunnel junctions with high tunneling magnetoresistance effect.     

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     

The effects of strain and surface roughness scattering on the quasi-ballistic characteristics of a Ge nanowire p-channel field-effect transistor

The effects of strain and surface roughness scattering on the quasi-ballistic hole transport in a strained gate-all-around germanium nanowire p-channel field-effect transistor （pFET） are investigated in this work. The valence subbands are shifted up and warped more parabolically by the influence of HfO2 due to the lattice mismatch. However, the boundary force only shifts the subbands downwards and has little effect on the reshaping of bands. Strain induced by HfO2 increases both the hole mobility and ON-current （/ON）, but has little effect on the hole mobility. The/ON is degraded by the surface roughness scattering in both strained and unstrained devices.