(InAs)1/(GaSb)1超晶格纳米线第一原理研究

半导体纳米线作为纳米器件的作用区和连接部分具有理想的形状, 把电子运动和原子周期性限制在一维结构当中.通过体材料的已知特性, 有效地选择材料组分使纳米线的低维结构优点更加突出.此外, 还可以通过其他方式来调整纳米线特性, 如控制纳米线直径、晶体学生长方向、结构相、表面晶体学晶面和饱和 度等内部或固有的特性;施加电场、磁场、热场和力场等外部影响. 体材料InAs和GaSb的晶格常数非常相近, 因此InAs/GaSb异质结构晶格失配很小, 可生长成为优良的红外光电子材料.另外, 体材料InAs在二元III---V化合物半导体中具有最低的有效质量, 这使得电子限制在InAs层的InAs/GaSb超晶格具有良好的输运特性. 本文通过第一原理计算研究轴线沿[001]和[111]闪锌矿晶体学方向的 (InAs)₁/(GaSb)₁超晶格纳米线(下标表示分子或双原子单层的数量) 的结构、电子和力学特性, 以及它们随纳米线直径(线径约为0.5---2.0 nm)的变化规律.另外, 分析了外部施加的应力对电子特性的影响, 考察了不同线径(InAs)₁/(GaSb)₁超晶格纳米线的电子带边能级随轴向应变的变化, 从而确定超晶格电子能带的带边变形势.     

(InAs)1/(GaSb)1超晶格原子链的第一原理研究

利用第一原理平面波赝势法, 对(InAs)₁/(GaSb)₁超晶格原子链的原子结构、力学特性、电子能带结构、 声子结构和光学特性进行研究, 并结合密度泛函理论数值原子轨道赝势法和非平衡格林函数法计算量子输运特性. 与二维层结构的(InAs)₁/(GaSb)₁超晶格相比, (InAs)₁/(GaSb)₁超晶格原子链的能带结构有明显不同, 在某些情况下表现为金属能带特性. 对理想条件下(InAs)₁/(GaSb)₁ 超晶格原子链的力学强度计算表明, 该结构可承受的应变高达 ε=0.19. 通过对声子结构的完整布里渊区分析, 研究了(InAs)₁/(GaSb)₁超晶格原子链的结构稳定性. 对两端接触电极为Al纳米线的InAs/GaSb超晶格原子链的电子输运特性计算表明, 电导随链长和应变的改变而发生非单调变化.光吸收谱的计算结果表现出在红外波段具有陡峭吸收边, 截止波长随超晶格原子链的结构而变化.预计InAs/GaSb超晶格原子链可应用于红外光电子纳米器件, 通过改变超晶格原子链的结构来调节光电响应波段.     

InAs/GaSb量子阱的能带结构及光吸收

采用八能带K-P理论以及有限差分方法,研究了沿[001]方向生长的InAs/GaSb二类断带量子阱体系的能带结构、波函数分布和对[110]方向线性偏振光的吸收特性.研究发现,通过改变InAs或GaSb层的厚度,可有效调节该量子阱体系的能带结构及波函数分布.计算结果表明,当InAs/GaSb量子阱的导带底与价带顶处于共振状态时,导带基态与轻空穴基态杂化效应很小,且导带基态与第一激发态的波函数存在较大的重叠,导带基态与第一激发态之间在布里渊区中心处的跃迁概率明显大于导带底与价带顶处于非共振状态时的跃迁概率.研究结果对基于InAs/GaSb二类断带量子阱体系的中远红外波段的新型级联激光器、探测器等光电器件的设计具有重要意义.     

InAs/GaSb超晶格中波红外二极管的阳极硫化

采用分子束外延技术,在GaSb衬底上生长了pin结构的InAs(8ML)/GaSb(8ML)超晶格中波红外光电二极管.用阳极硫化和ZnS薄膜对二极管表面进行钝化处理后,二极管漏电流密度降低了三个数量级,零偏阻抗R0达到106Ω,R0A达到103Ωcm2.通过测量电流密度与光敏元周长面积比的关系可知表面漏电不是主要漏电成分;电容电压特性曲线表明吸收层i层背景掺杂浓度约4~5×1014cm-3.在空气中放置一个月后再次测试,发现响应率和探测率几乎没有变化.与化学硫化和SiO2薄膜钝化方法相比,阳极硫化方法是一种更简单和有效的钝化方法.     

生长中断法生长InAs/GaSbⅡ型超晶格材料表面形貌的研究

利用分子束外延技术,基于控制快门开关顺序的生长中断法,在GaSb衬底上生长了10周期和20周期的InAs(10 monolayer, 10 ML)/GaSb(10 ML)Ⅱ型超晶格材料。实验中,基于软件模拟对生长参数进行调控分析,实现了As-Sb高效的置换,有效地降低了界面的应力。通过双晶X射线衍射和原子力显微镜对超晶格样品表面形貌进行测试和表征,应变分别减少到0.64%和0.56%,均方根粗糙度仅为0.81 nm和0.45 nm,为后续器件的制备提供了基础。     

InAs/GaInSb超晶格薄膜结构与电学性能

采用分子束外延(MBE)方法, 调节生长温度、Ⅴ/Ⅲ束流比等参数在(001)GaAs衬底上生长了InAs/GaInSb超晶格薄膜.结果表明:InAs/GaInSb超晶格薄膜的最佳生长温度在385~395 ℃, Ⅴ/Ⅲ束流比为5.7 :1~8.7 :1.高能电子衍射仪(RHEED)原位观测到清晰的GaAs层(4×2)、GaSb层(1×3)和InAs层(1×2)再构衍射条纹.获得的超晶格薄膜结构质量较好.随着温度的升高, 材料的载流子浓度和迁移率均上升.     

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：     

As压调制的InAlAs超晶格对InAs纳米结构形貌的影响

利用固源分子束外延设备生长出InAs/InAlAs/InP(001)纳米结构材料, 探讨了As压调制的InAlAs超晶格对InAs纳米结构形貌的影响. 结果表明, As压调制的InAlAs超晶格能控制InAs量子线的形成, 导致高密度均匀分布的量子点的生长. 结果有利于进一步理解量子点形貌控制机理. 分析认为, InAs纳米结构的形貌主要由InAlAs层的各向异性应变分布和In吸附原子的各向异性扩散所决定.     

In掺杂ZnO超晶格光学性质的研究

采用基于第一性原理的线性缀加平面波方法, 计算了超晶格ZnO掺In的光学性质. 计算结果表明, 掺入In元素后Fermi能级进入导带, 介电函数、吸收系数、折射率、反射率都在Fermi面附近产生新的跃迁峰. 随着掺杂层数的增多, 跃迁峰发生红移, 当掺杂两层In时跃迁峰峰值最大, 同时吸收系数的吸收边随掺杂层数的增多而逐渐减小. 与In掺杂ZnO超晶胞相比, ZnO超晶格在可见光范围内具有高透过率的特点.     

InGaAsSb/GaSb量子阱能带结构及自发发射谱

讨论了不同In组分对InGaAsSb/GaSb量子阱能带结构,即带隙及带边不连续性(带阶)的影响。给出了较为精准的InGaAsSb禁带宽度与In组分的关系。分析了In组分对InGaAsSb/GaSb导带、价带带阶的作用。研究表明,随In组分的增加,InGaAsSb禁带宽度减小,应力加大,能带漂移增大,InGaAsSb/GaSb导带、价带的带阶减小。同时,利用上述研究结果合理地解释了InGaAsSb/GaSb自发发射谱的增益、发射峰位及半峰宽与In组分关系。研究In组分对InGaAsSb/GaSb量子阱能带结构及自发发射谱的影响,可以定性地解释已有的实验报道。     

First-principles study of interface relaxation effect on interface and electronic structures of InAs/GaSb superlattices with different interface types

We have implemented first-principles relativistic pseudopotential calculations within general gradient approximation to investigate the structural and electronic properties of quaternary InAs/GaSb superlattices with an InSb or GaAs type of interface. Because of the complexity and low symmetry of the quaternary interfaces, the interface energy and strain in the InAs/GaSb superlattice system have been calculated to determine the equilibrium interface structural parameters. The band structures of InAs/GaSb superlattices with InSb and GaAs interfaces have been calculated with respect to the lattice constant and atomic position relaxations of the superlattice interfaces. The calculation of the relativistic Hartree–Fock pseudopotential in local density approximation has also been performed to verify the calculated band structure results that have been predicted in other empirical theories. The calculated band structures of InAs/GaSb superlattices with different types of interface (InSb or GaAs) have been systematically compared. We find that the virtual–crystal approximation fails to properly describe the quaternary InAs/GaSb superlattice system, and the chemical bonding and ionicity of anion atoms are essential in determining the interface and electronic structures of InAs/GaSb superlattice system.     

Intersubband transitions in InAs/GaSb semi-metallic superlattices

Magnetic field orientated parallel to the superlattice layers enables intersubband absorption to occur for normally incident light. We investigate semi-metallic InAs/GaSb superlattices in this configuration, presenting data over a wide range of InAs well widths. For narrow wells, the reduced absorption coefficient means that an alternative waveguide configuration, where the light makes about 4 or 5 passes through the sample is used. In this second configuration we see further activation of the intersubband resonance by the parallel field. The intersubband energy and absorption characteristics are studied over a large range of well widths and compared with results from 8-band k·p calculations.     

Growth and electrical characterization of type II InAs/GaSb superlattices for midwave infrared detection

Herein, we report a type II InAs/GaSb superlattice structure (SLS) grown on GaSb(1 0 0) substrates by molecular beam epitaxy (MBE) and its electrical characterization for mid-wavelength infrared detection. A GaSb buffer layer was grown under optimized SLS growth conditions, which can decrease the occurrence of defects for similar pyramidal structures. The complications associated with these conditions include oxide desorption of the substrate, growth temperature of the SLS, the V/III ratio during superlattice growth and the shutter sequence. High-resolution X-ray diffraction (HRXRD) shows the sixth satellite peak, and the period of the SLS was 52.9 Å. The atomic force microscopy (AFM) images indicated that the roughness was less than 2.8 nm. High-resolution transmission electron microscopy (HRTEM) images indicated that the SLS contains few structural defects related to interface dislocations or strain relaxation during the growth of the superlattice layer. The photoresponse spectra indicated that the cutoff wavelength was 4.8 μm at 300 K. The SLS photodiode surface was passivated by a zinc sulfide (ZnS) coating after anodic sulfide.     

Interface effect on superlattice quality and optical properties of InAs/GaSb type-II superlattices grown by molecular beam epitaxy

We systematically investigate the influence of InSb interface (IF) engineering on the crystal quality and optical properties of strain-balanced InAs/GaSb type-II superlattices (T2SLs). The type-II superlattice structure is 120 periods InAs (8 ML)/GaSb (6 ML) with different thicknesses of InSb interface grown by molecular beam epitaxy (MBE). The high-resolution x-ray diffraction (XRD) curves display sharp satellite peaks, and the narrow full width at half maximum (FWHM) of the 0th is only 30-39 arcsec. From high-resolution cross-sectional transmission electron microscopy (HRTEM) characterization, the InSb heterointerfaces and the clear spatial separation between the InAs and GaSb layers can be more intuitively distinguished. As the InSb interface thickness increases, the compressive strain increases, and the surface "bright spots" appear to be more apparent from the atomic force microscopy (AFM) results. Also, photoluminescence (PL) measurements verify that, with the increase in the strain, the bandgap of the superlattice narrows. By optimizing the InSb interface, a high-quality crystal with a well-defined surface and interface is obtained with a PL wavelength of 4.78 μ, which can be used for mid-wave infrared (MWIR) detection.     

Interfaces as design tools for short-period InAs/GaSb type-II superlattices for mid-infrared detectors

The effect of interface anisotropy on the electronic structure of InAs/GaSb type-II superlattices is exploited in the design of thin-layer superlattices for mid-IR detection threshold. The design is based on a theoretical envelope function model that incorporates the change of anion and cation species across InAs/GaSb interfaces, in particular, across the preferred InSb interface. The model predicts that a given threshold can be reached for a range of superlattice periods with InAs and GaSb layers as thin as a few monolayers. Although the oscillator strengths are predicted to be larger for thinner period superlattices, the absorption coefficients are comparable because of the compensating effect of larger band widths. However, larger intervalence band separations for thinner-period samples should lead to longer minority electron Auger lifetimes and higher operating temperatures in p-type SLs. In addition, the hole masses for thinner-period samples are on the order the free-electron mass rather than being effectively infinite for the wider period samples. Therefore, holes should also contribute to photoresponse. A number of superlattices with periods ranging from 50.6 to 21.2 Å for the 4 μm detection threshold were grown by molecular beam epitaxy based on the model design. Low temperature photoluminescence and photoresponse spectra confirmed that the superlattice band gaps remained constant at 330 meV although the period changed by the factor of 2.5. Overall, the present study points to the importance of interfaces as a tool in the design and growth of thin superlattices for mid-IR detectors for room temperature operation.     

Intersubband lifetimes in InAs/GaSb superlattices using saturated absorption spectroscopy

We investigate intersubband relaxation rates above the optical phonon energy in a InAs/GaSb superlattice using saturation spectroscopy. A high-intensity free-electron laser tuned to the intersubband transition energy is used to saturate the absorption process revealing picosecond relaxation rates. The effects of the parallel magnetic field and laser energy on the relaxation processes are explored.     

Coherent phonon dynamics in short-period InAs/GaSb superlattices

We have performed ultrafast pump-probe spectroscopy studies on a series of InAs/GaSb-based short-period superlattice (SL) samples with periods ranging from 46 Å to 71 Å. We observe two types of oscillations in the differential reflectivity with fast (∼$\sim$1–2 ps) and slow (∼$\sim$24 ps) periods. The period of the fast oscillations changes with the SL period and can be explained as coherent acoustic phonons generated from carriers photoexcited within the SL. This mode provides an alternative method for determining the SL period. The period of the slow mode depends on the wavelength of the probe pulse and can be understood as a propagating coherent phonon wavepacket modulating the reflectivity of the probe pulse as it travels from the surface into the sample.     

Influence of the p-type doping on the radiometric performances of MWIR InAs/GaSb superlattice photodiodes

In this paper, quantum efficiency (QE) measurements performed on type-II InAs/GaSb superlattice (T2SL) photodiodes operating in the mid-wavelength infrared domain, are reported. Several comparisons were made in order to determine the SL structure showing optimum radiometric performances: same InAs-rich SL structure with different active zone thicknesses (from 0.5 μm to 4 μm) and different active zone doping (n-type versus p-type), same 1 μm thick p-type active zone doping with different SL designs (InAs-rich versus GaSb-rich and symmetric SL structures). Best result was obtained for the p-type doped InAs-rich SL photodiode, with a 4 μm active zone thickness, showing a QE that reaches 61% at λ = 2 μm and 0 V bias voltage.