Band crossing in isovalent semiconductor alloys with large size mismatch: First-principles calculations of the electronic structure of Bi and N incorporated GaAs

For large size- and chemical-mismatched isovalent semiconductor alloys, such as N and Bi substitution on As sites in GaAs, isovalent defect levels or defect bands are introduced. The evolution of the defect states as a function of the alloy concentration is usually described by the popular phenomenological band anticrossing (BAC) model. Using first-principles band-structure calculations we show that at the impurity limit the N-(Bi)-induced impurity level is above (below) the conduction- (valence-) band edge of GaAs. These trends reverse at high concentration, i.e., the conduction-band edge of GaAs1-xNx becomes an N-derived state and the valence-band edge of GaAs1-xBix becomes a Bi-derived state, as expected from their band characters. We show that this band crossing phenomenon cannot be described by the popular BAC model but can be naturally explained by a simple band broadening picture.

GROWTH OF WIDE-BAND GAP IMMISCIBLE II-VI ALLOYS BY METALORGANIC VAPOR-PHASE EPITAXY

Although metalorganic vapor phase epitaxy (MOVPE) is generally regarded as a non-equillibrium process, it can be assumed that a chemical equilibrium is established at the vapor-solid interface in the diffusion limited region of growth rate. In this paper, an equilibrium model was proposed to calculate the relation between vapor and solid compositions for II-VI ternary alloys. Metastable alloys in the miscibility gap may not be obtained when the growth temperature is lower than the critical temperature of the system. The influence of growth temperature, reactor pressure, input VI/II ratio, and input composition of group VI reactants has been calculated for ZnSSe, ZnSeTe and ZnSTe. The results are compared with experimental data for the ZnSSe and ZnSTe systems.

Electronic properties of zinc-blende GaN, AlN, and their alloys Ga1-xAlxN

The electronic properties of wide-energy gap zinc-blende structure GaN, A1N, and their alloys Ga(1-x)A1(x)N are investigated using the empirical pseudopotential method. Electron and hole effective mass parameters, hydrostatic and shear deformation potential constants of the valence band at Gamma and those of the conduction band at Gamma and X are obtained for GaN and AIN, respectively. The energies of Gamma, X, L conduction valleys of Ga(1-x)A1(x)N alloy versus Al fraction x are also calculated. The information will be useful for the design of lattice mismatched heterostructure optoelectronic devices based on these materials in the blue light range application. (C) 1995 American Institute of Physics.

Band structure parameters of zinc-blende GaN, AlN and their alloys Ga1-xAlxN

The electronic properties of wide energy gap zinc-blende structure GaN, AlN and their alloys Ga1-xAlxN are investigated using the empirical pseudopotential method. Electron and hole Effective mass parameters, hydrostatic and shear deformation potential constants of the valence band at Gamma and those of the conduction band at Gamma and X are obtained. The energies of Gamma, X, L conduction valleys of Ga1-xAlxN alloy versus Al fraction x are also calculated. The information will be useful for the design of lattice mismatched heterostructure optoelectronic devices in the blue light range.

第一性原理研究Mg,Si和Mn共掺GaN

采用基于密度泛函理论(DFT)的第一性原理平面波赝势法(PWP)计算Mg,Si和Mn共掺GaN电子结构和光学性质,分析比较计算结果.计算表明:掺杂后体系均在能隙深处产生自旋极化杂质带,具有半金属性,能产生自旋注入.与Mn掺杂GaN比较,Mg共掺后能使居里温度(TC)升高,并在1.0eV出现源于Mn4+离子基态4T1(F)到4T2(F)态跃迁的较强的光吸收,而Mn掺杂GaN时位于1.3eV处的吸收峰消失;Si共掺后没能使TC升高,且在低能区无光吸收现象.

Optical and Electrical Properties of GaN.Mg Grown by MOCVD

Mg-doped GaN layers prepared by metalorganic chemical vapor deposition were annealed at temperatures between 550 and 950℃. Room temperature （RT） Hall and photoluminescence （PL） spectroscopy measurements were performed on the as-grown and annealed samples. After annealing at 850℃, a high hole concentration of 8 × 10~(17) cm~(-3) and a resistivity of 0. 8lΩ·cm are obtained. Two dominant defect-related PL emission bands in GaN.. Mg are investigated; the blue band is centered at 2. 8eV （BL） and the ultraviolet emission band is around 3.27eV （UVL）. The relative intensity of BL to UVL increases after annealing at 550℃, but decreases when theannealing temperature is raised from 650 to 850℃, and finally increases sharply when the annealing temperature is raised to 950C. The hole concentration increases with increased Mg doping, and decreases for higher Mg doping concentrations. These results indicate that the difficulties in achieving high hole concentration of 10~(18)cm~(-3) appear to be related not only to hydrogen passivation, but also to self-compensation.

MOCVD生长Mg掺杂GaN的退火研究

用MOCVD技术在50mm蓝宝石衬底(0001)面上生长了GaN∶Mg外延膜,对样品进行热退火处理并作了Hall、双晶X射线衍射(DCXRD)和室温光致发光谱(PL)测试.Hall测试结果表明,950℃退火后空穴浓度达到5×1017cm-3以上,电阻率降到2.5Ω·cm;(0002)面DCXRD测试发现样品退火前、后的半峰宽均约为4′;室温PL谱中发光峰位于2.85eV处,退火后峰的强度比退火前增强了8倍以上,表明样品中大量被H钝化的受主Mg原子在退火后被激活.

低能离子束沉积制备GaAs:Gd的研究

对室温条件下用低能离子束沉积得到的GaAs∶Gd样品,借助X射线衍射(XRD)和高分辨X射线衍射(HR-XRD)进行了结构分析,结果表明没有出现新的衍射峰,并且摇摆曲线的形状与Gd的注入计量密切相关.运用X光电子能谱仪对比分析了Gd注入后,衬底中主要元素Ga2p和As3d的化学位移,以及不同计量的样品中注入的Gd4d芯能级束缚能的变化,并分析了铁磁性产生的可能原因.

离子束外延制备GaAs:Gd薄膜

室温务件下，用低能离子束外延制备了GaAs

低能离子束制备(Ga,Gd,As)薄膜

室温条件下,用离子束外延设备制备(Ga,Gd,As)样品,X射线衍射(XRD)结果表明除了GaAs衬底峰,没有发现其他新相的衍射峰.俄歇电子能谱(AES)分析了样品中元素随深度的变化,不同样品中元素的分布有着不同的特点.并运用原子力显微镜(AFM)研究了样品表面的形貌特点,表明样品表面的粗糙度与Gd注入过程中在样品表面沉积的多少有关.运用交变梯度磁强计(AGM)对薄膜进行磁性分析,结果表明有的样品在室温条件下出现铁磁性,但金属钆本身具有室温铁磁性,因而需要进一步分析.

Si被注入Gd后的磁性及其整流特性的研究

采用离子束技术,在n型硅基片中注入稀土元素钆,制备了磁性-非磁性p-n结.磁性层Gd_xSi_(1-x)表现出优良的磁学性能,高居里温度,高原子磁矩(利用RKKY模型可以得到解释),低矫顽力,并保持着半导体的属性,磁性-非磁性p-n结具有整流特性,但没有观察到明显的磁电阻效应.

Optical properties of AIInGaN quaternary alloys

Carrier recombination dynamics in AlInGaN alloy has been studied by photoluminescence (PL) and time-resolved photoluminescence (TRPL). The fast redshift of PL peak energy is observed and well fitted by a physical model considering the thermal activation and transfer processes. This result provides evidence for the exciton localization in the quantum dot (QD)-like potentials in our AlInGaN alloy. The TRPL signals are found to be described by a stretched exponential function of exp[(-t/tau)(beta)], indicating the presence of a significant disorder in the material. The disorder is attributed to a randomly distributed quantum dots or clusters caused by indium fluctuations. By studying the dependence of the dispersive exponent 8 on the temperature and emission energy, we suggest that the exciton hopping dominate the diffusion of carriers localized in the disordered quantum dots. Furthermore, the localized states are found to have OD density of states up to 250 K, since the radiative lifetime remains almost unchanged with increasing temperature.

The SPER and characteristics of Si1-yCy alloys

\Si1-yCy alloys with carbon composition of 0.5 at.% were successfully grown on n-Si(100) substrate by solid phase epitaxy recraystallization. The result was presented in this paper. With the help of the SiO2 capping layer, rather uniform carbon profile in amorphous Si layer was obtained by dual-energy implantation. Since ion-flow was small and implantation time was long enough, the emergency of beta-SiC was avoided and the dynamic annealing effect was depressed. The pre-amorphization of the Si substrate increased the fraction of the substitutions carbon and the two-step annealing reduced point defects. As a result, Si1-yCy alloys with high quality was recrystallized on Si substrate.