(GaAs)_1(AlAs)_1(001)超晶格电子结构的从头计算

本文用密度泛函线性丸盒轨道原子球近似方法(DFT-LMTO-ASA)对(GaAs)_1(AlAs)_1(001)超晶格的电子结构进行了第一原理性计算。利用Lowdin微扰法在矩阵元中计入d态的影响,可使本文方法仅用阶数很小(32×32)的久期方程便可较满意地处理这个超晶格系统。计算并讨论了该超晶格的带隙,导带极小值处各本征态的分波特性以及GaAs和AlAs层间的价电子转移。我们的结果同最近用计算量大得多的从头算赝势法和完整势线性缀加平面波(FLAPW)法所得的结果进行了比较。结果表明,本文方法不仅具有合理的精度,而且有快速高效率的特点,更适于研究层数较多或结构更复杂的半导体超晶格,如(GaAs)m(AlAs)n等系统的电子结构性质。     

Effect of Γ–X Intervalley Scattering on the Electron Transport in Double-Barrier GaAs/AlAs(001) Heterostructures

Volt-ampere characteristics, transmission spectra of electrons, and tunneling times are calculated for a three-valley model by the multiband method used for studying the quantum transport in GaAs/AlAs(001) semiconductor heterostructures. The effect of –X intervalley scattering of electrons on the heteroboundaries of the structures is examined.     

A smooth topological representation for “quark-color” switching

We present calculations of inclusive production of heavy quarkonia via the subprocess \(e^ + e^ - \to MQ\bar Q (M = (Q\bar Q))\) . In the particular caseM=J/ψ (Q=c) this subprocess competes significantly with other mechanisms which produce final state gluons. Thus inclusiveJ/ψ production cannot be used to study gluonic jets, as has been suggested. We also present results for the total cross-section of inclusive γ andη _c production via the same mechanism.     

采用N2-RF等离子体氮化GaAs(001)

研究了在MBE系统中,GaAs(001)表面的氮化过程。GaAs(001)表面直接和间接地暴露在等离子体激发的N₂气流下。两种氮化过程显示了完全不同的表面氮化结果。在打开N₂发生器挡板的情况下,氮化导致GaAs(001)表面损伤,并且形成多晶结构。当增加N₂气压时,损伤变得更严重。但是,在关闭N₂发生器挡板的情况下,在500℃下,经过氮化将观察到(3×3)再构的RHEED花样,表面仍保持原子级的平整度。上述结果表明,不开N₂发生器挡板,低温(500℃下)氮化将在GaN外延生长之前形成平整的薄层c-GaN。     

Ga液滴沉积速率对GaAs/GaAs(001)量子双环形貌的影响

采用液滴外延法在GaAs (001)衬底上制备同心量子双环(concentric quantum double rings, CQDRs),利用原子力显微镜表征其表面形貌,并研究Ga液滴沉积速率对CQDRs的影响.研究结果发现,随着Ga液滴沉积速率的增加, CQDRs的密度增加,内外环半径均降低.根据成核理论中最大团簇密度和Ga液滴沉积速率之间的关系拟合出临界成核原子数目为5,表明在Ga液滴形成阶段时稳定的Ga原子晶核至少包含5个Ga原子;根据成核理论和拟合结果绘制成核过程状态转化图以深入理解Ga液滴形成过程.相关研究结果对液滴外延法制备密度可控的GaAs同心量子双环具有一定的指导意义.     

AlSb/GaAs(001)失配位错的高分辨电子显微学研究

用200kV六硼化镧光源的高分辨透射电子显微镜观察了AlSb/GaAs(001)外延薄膜的失配位错,结合解卷处理方法把[110]高分辨电子显微像转换为试样的结构投影图,其分辨率接近电子显微镜的信息极限.根据赝弱相位物体近似像衬理论,通过分析AlSb薄膜完整区解卷像的衬度随试样厚度的变化,确定了哑铃原子对中Al和Sb原子的位置.在此基础上构建出失配位错的结构模型,再结合模拟像与实验像的匹配,确定了AlAs型界面以及Lomer和60°两类失配全位错的核心结构.     

Ga液滴沉积量对GaAs/GaAs(001)同心量子双环形貌的影响

通过液滴外延法制备了GaAs/GaAs(001)同心量子双环(Concentric Quantum Double Rings, CQDRs),研究了Ga液滴沉积量对CQDRs的影响.研究结果发现:随着Ga液滴沉积量的增加,CQDRs密度降低,内环高度增高,外环高度降低,中心孔洞深度增加. CQDRs内环拟合结果表明,Ga液滴沉积量少于0.92ML(Monolayer, ML)时无法成环;外环拟合结果显示,在本实验条件下,形成外环的最小Ga液滴沉积量为3.1ML.拟合结果与实验结果一致,相关研究结果对液滴外延法制备GaAs同心量子双环具有指导意义.     

Ga液滴沉积量对GaAs/GaAs(001)同心量子双环形貌的影响

通过液滴外延法制备了GaAs/GaAs(001)同心量子双环(Concentric Quantum Double Rings,CQDRs),研究了Ga液滴沉积量对CQDRs的影响.研究结果发现:随着Ga液滴沉积量的增加,CQDRs密度降低,内环高度增高,外环高度降低,中心孔洞深度增加.CQDRs内环拟合结果表明,Ga液滴沉积量少于0.92ML(Monolayer,ML)时无法成环;外环拟合结果显示,在本实验条件下,形成外环的最小Ga液滴沉积量为3.1ML.拟合结果与实验结果一致,相关研究结果对液滴外延法制备GaA s同心量子双环具有指导意义.     

Evidence for interlayer donor–acceptor recombination in type II GaAs/AlAs superlattices

Steady-state and time-resolved photoluminescence of (GaAs)₇(AlAs)₉type II superlattices grown simultaneously by molecular beam epitaxy on (311)A and (100) GaAs substrates, intentionally undoped or uniformly doped with silicon, has been studied. It is shown that at temperatures T >  30 K, the dominant line in the photoluminescence spectra of superlattices is caused by donor–acceptor recombination between the donors located in the AlAs layers and the acceptors in the GaAs layers. The sum of the binding energies of the donors and acceptors in the pairs has been determined. A spectrally-dependent linear polarization of the donor–acceptor line along the direction of the interface corrugation of the superlattice has been discovered in the spectra of (311)A-oriented superlattices.     

Aδ-doped In0.24Ga0.76As/GaAs pseudomorphic high electron mobility transistor using a graded superlattice spacer

A new δ -doped In_0.24Ga_0.76As/GaAs pseudomorphic high electron mobility transistor (HEMT) using a graded superlattice spacer grown by molecular beam epitaxy (MBE) has been successfully fabricated and investigated. The present device structure demonstrated a more than 40% enhancement of electron mobility and 20% higher product value of electron mobility and two-dimensional electron gas (2DEG) concentration than those of the conventional HEMT with single undoped spacer under the same growth specifications. Superior device characteristics were achieved by employing the thickness-graded superlattice spacer to accommodate the lattice-mismatch-induced strain and to improve the interfacial quality. For a gate length of 1 μ m, the maximum drain-to-source saturation current density and extrinsic transconductance of the present HEMT design are 165 mA mm ^− 1and 107 mS mm ^− 1, respectively, at room temperature.     

(GaAs)_1(AlAs)_1(001)超晶格与闪锌矿结构Ga_(0.5)Al_(0.5)As合金虚晶能带的对应性

基于线性丸盒轨道原子球近似(LMTO-ASA)数值计算,比较(GaAs)_1(AlAs)_1(001)超晶格与闪锌矿结构Ga_(0.5)Al_(0.5)As合金虚晶能带本征态,发现它们可以用Ⅲ价和Ⅴ价原子平面的分波态进行统一描述,用这种方法详细分析超晶格与闪锌矿结构合金在布里渊区Γ,M(X)和R(L)诸点主要能带本征态之间的对应关系,讨论了超晶格布里渊区能带折叠对本征态的影响。     

Al_(0.17)Ga_(0.83)As/GaAs(001)薄膜退火过程的热力学分析

在As_4束流等效压强为1.2×10~(-3)Pa、退火60 min条件下改变退火温度,对Al_(0.17)Ga_(0.83)As/GaAs薄膜表面平坦化的条件进行了探讨.定量分析了薄膜表面坑、岛与平台的覆盖率和台阶-平台间薄膜粗糙度随退火温度变化的规律,得到最合适的退火温度为545℃(±1℃);根据退火模型发现退火温度的改变会影响参与熟化的原子的数量,熟化原子比θ正比于退火温度,即θ∝Τ.退火温度540℃条件下退火约60 min,薄膜表面达到基本平坦,推测此时0.20θ0.25;退火温度为545℃时,推测退火时间约为55-60 min.本实验得到的结论可以为生长平坦的Al_(0.17)Ga_(0.83)As/GaAs薄膜提供理论与实验指导.     

(GaAs)1(AlAs)1(001)超晶格与闪锌矿结构Ga0.5Al0.5As合金虚晶能带的对应性

基于线性丸盒轨道原子球近似(LMTO-ASA)数值计算,比较(GaAs)₁(AlAs)₁(001)超晶格与闪锌矿结构Ga_0.5Al_0.5As合金虚晶能带本征态,发现它们可以用Ⅲ价和Ⅴ价原子平面的分波态进行统一描述,用这种方法详细分析超晶格与闪锌矿结构合金在布里渊区Γ,M(X)和R(L)诸点主要能带本征态之间的对应关系,讨论了超晶格布里渊区能带折叠对本征态的影响。 关键词：     

Prediction for α3(Mz) in a string-inspired model

We apply the Renormalisation Group Evolution (RGE) to analyse the phenomenological implications of an extended supersymmetric model, for the value of the unification scale and the strong coupling at the electroweak scale. The model we consider is predicted to exist in Calabi–Yau string compactifications with Wilson line mechanism for E₆ symmetry breaking, contains additional matter beyond the MSSM spectrum and avoids the “doublet-triplet” splitting problem in the Higgs sector. The calculation is analytical in two-loop order and includes the effects of the heavy thresholds due to the additional matter considered. The value of α₃(M_z) can be brought within the experimental limits without a significant change of the unification scale from the MSSM prediction.     

Photoluminescence due to exciton–exciton scattering in a GaAs/AlAs multiple quantum well

We have investigated photoluminescence (PL) properties of a GaAs (20 nm)/AlAs (20 nm) multiple quantum well at 10 K under intense excitation conditions. It has been found that a PL band due to exciton–exciton scattering, the so-called P emission, is observed in addition to the biexciton PL under an excitation energy higher than the fundamental heavy-hole exciton by the energy of the longitudinal optical phonon. On the other hand, the P band could never be observed at an excitation energy much higher than the exciton energy, where a band-filling phenomenon appears in the PL spectrum. Furthermore, we confirmed the existence of optical gain leading to stimulated emission in the energy region of the P band using a variable-stripe-length method.     

Photoluminescence properties of exciton–exciton scattering in a GaAs/AlAs multiple quantum well

We report on the photoluminescence (PL) properties of a GaAs (20 nm)/AlAs (20 nm) multiple quantum well under high-density-excitation conditions at excitation energies near the fundamental exciton energies. The biexciton-PL band is dominant in a relatively low-excitation-power region. The PL originating from exciton–exciton scattering, the so-called P emission, suddenly appears with an increase in excitation power. The excitation-energy dependence of the intensity of the P-PL band indicates that the excitation energy higher than the fundamental heavy-hole exciton by the energy of the longitudinal optical (LO) phonon is the most efficient for the P PL. This suggests that the LO-phonon scattering plays an important role in the relaxation process of excitons leading to the P PL. The appearance of the P-PL band remarkably suppresses the intensity of the biexciton-PL band; namely, the exciton–exciton scattering process prevents the formation of biexcitons. Furthermore, we have confirmed the existence of optical gain due to the exciton–exciton scattering process with use of a variable-stripe-length method.     

Mn/GaAs(001)的表面再构与Mn的磁矩研究

通过第一性原理计算，系统地研究了Mn/GaAs(001)表面的各种再构和相应的局域电子态密度分布，以及表面上Mn的磁矩与各种再构间的对应关系.结果发现，Mn的行为类似电荷施主，将向GaAs表面提供电子，数量依表面的需求而定；直接与Mn的磁矩相联系的d轨道，既可以向GaAs表面施予电子，以弥补Mn的s电子的不足，又可以吸纳因GaAs表面饱和而富余的s电子.这些概念可有效地简化对金属引起的半导体表面再构的理论描述. 关键词： 表面再构 Mn/GaAs(001) 第一性原理计算     

测定GaAs(001)衬底上InAs的生长速率

报道了间接测定InAs生长速率的方法.通过设置不同Ga源温度,固定In源温度;和固定Ga源温度,设置不同In源温度,在GaAs(001)衬底上生长GaAs与InGaAs,用RHEED强度振荡测定GaAs与InGaAs的生长速率.验证了InGaAs的生长速率为GaAs的生长速率与InAs的生长速率之和,得到了In源温度在845～880℃时InAs的生长速率曲线.     

GaAs(001)表面外延生长Mn薄膜的XPS研究

利用x射线光电子能谱的深度剖面技术,对不同衬底温度下分子束外延生长的Mn薄膜及其与GaAs(001)衬底间的界面进行了元素组分和化学结合状态随深度变化的研究。实验发现衬底温度等于400K时制备的fcc-Mn/GaAs(001)体系中,fcc-Mn层与GaAs衬底之间存在一层较厚的Mn-Ga-As的缓冲层;衬底温度等于300K(室温)时制备的a-Mn/GaAs(001)体系中也存在类似的缓冲层,但它的厚度与fcc-Mn的情形相比要小得多;而当衬底温度等于450K时制备的体系在GaAs衬底之上全部是Mn-Ga     

脉冲激光原位辐照对InAs/GaAs(001)量子点生长的影响

在InAs/GaAs(001)量子点生长过程中, 当InAs沉积量为0.9 ML时, 利用紫外纳秒脉冲激光辐照浸润层表面, 由于高温下In原子的不稳定性, 激光诱导的原子脱附效应被放大, 样品表面出现了原子层移除和纳米孔. 原子力显微镜测试表明纳米孔呈现以[110]方向为长轴(尺寸: 20-50 nm)、[110]方向为短轴(尺寸: 15-40 nm)的表面椭圆开口形状, 孔的深度为0.5-3 nm. 纳米孔的密度与脉冲激光的能量密度正相关. 脉冲激光的辐照对量子点生长产生了显著的影响: 一方面由于纳米孔的表面自由能低, 沉积的InAs优先迁移到孔内, 纳米孔成为量子点优先成核的位置; 另一方面, 孔外的区域因为In原子的脱附, 量子点的成核被抑制. 由于带有纳米孔的浸润层表面具有类似于传统微纳加工技术制备的图形衬底对量子点选择性生长的功能, 该研究为量子点的可控生长提供了一种新的思路.