Electronic surface properties of uhv-cleaved III–V compounds

Combined CPD and photoemission measurements were performed on uhv-cleaved surfaces of the III–V compounds InAs, GaSb, GaAs and GaP with moderate p-type and n-type dopings. Except for n-type GaP these materials show practically no band bending. N-type GaP exhibits surface Fermi level stabilization at 0.55 eV below the conduction band edge. This is ascribed to an intrinsic empty surface state band in the forbidden zone. On the basis of our experiments together with available data from literature we propose an empirical model for the (110) plane of III–V compounds containing In or Ga as metal and Sb, As or P as non-metal atoms from which the lower edge of the empty surface state band can be predicted. The model indicates that for any of these compounds except for GaP no empty surface state band exist in the band gap on the (110) surface.     

Formation and crystal structure of GaSb/GaP quantum dots

The atomic structure of GaSb/GaP quantum dots grown via molecular beam epitaxy on a (100) GaP surface at epitaxy temperatures of 420–470°C is investigated. It is established that, depending on morphology of the GaP growth surface, the deposition of 1 ML of GaSb leads to the formation of strained Ga(Sb, P)/GaP or fully relaxed GaSb/GaP quantum dots. The obtained heterostructures exhibit high photoluminescence efficiency.     

A theoretical investigation of the band alignment of type-I direct band gap dilute nitride phosphide alloy of GaN_xAs_yP_(1-x-y)/GaP quantum wells on GaP substrates

The GaP-based dilute nitride direct band gap material Ga（NAsP） is gaining importance due to the monolithic integra- tion of laser diodes on Si microprocessors. The major advantage of this newly proposed laser material system is the small lattice mismatch between GaP and Si. However, the large threshold current density of these promising laser diodes on Si substrates shows that the carrier leakage plays an important role in Ga（NAsP）/GaP QW lasers. Therefore, it is necessary to investigate the band alignment in this laser material system. In this paper, we present a theoretical investigation to optimize the band alignment of type-I direct band gap GaNxAsyP1-x-y/GaP QWs on GaP substrates. We examine the effect of nitrogen （N） concentration on the band offset ratios and band offset energies. We also provide a comparison of the band alignment of type-I direct band gap GaNxAsyP1-x-y/GaP QWs with that of the GaNxAsyP1-x-y/Al2Ga1-2P QWs on GaP substrates. Our theoretical calculations indicate that the incorporations of N into the well and AI into the barrier improve the band alignment compared to that of the GaAsP/GaP QW laser heterostructures.     

Electronic states induced by surface defects on GaSb(110)

Electronic state calculations for point defects on the GaSb(110) surface are presented using a cluster, in order to indicate theoretically the usefulness of the defect model as a mechanism of the Fermi level pinning in Schottky barriers. The results demonstrate that the presence of atomic Ga at surface Sb vacancy sites in addition to surface Ga vacancies gives electronic states localized near the top of the valence band which can be responsible for the pinning observed experimentally.     

Core excitons in Ga-V compound semiconductors

The major chemical trends in the energies of Ga 3d core excitons in GaP, GaAs, and GaSb are accounted for by a theory which treats only the central-cell part of the electron-hole interaction.     

A calculation of defect gap states on the clean (110) surfaces of some III-V semiconductors

The gap electronic structure of various defects on the (110) faces of GaSb, GaAs, GaP, InAs and InP is studied. States associated with defects having one or two dangling bonds on either metallic and non-metallic atoms are considered. For interacting defects the barycenter of the states is calculated and their splitting is estimated. It is found that for GaSb, GaAs, GaP and InAs only two clearly distinct groups of levels can be identified. The upper one always corresponds to centers with one dangling bond on a metallic atom, while the lower one contains the levels associated to all the other possibilities we have investigated. For InP, levels associated with two dangling bonds on a metallic atom are raised from the lower group. This is in agreement with the other available theoretical results. A discussion of the experimental data in the light of our results is presented.     

On the structured imperfections of bulk GaSb using high resolution transmission electron microscopy

GaSb is a promising III-V direct band gap semiconductor with sphalerite type FCC structure. Its band gap value has made it an excellent candidate for the conversion of infrared radiation to electricity. The wafers of GaSb, that were studied, originated from ingots grown with the Liquid Encapsulated Chochralski method. In all cases, Energy Dispersive X-ray Spectroscopy and Particle Induced X-ray Emission measurements demonstrated an excess of Sb. In the present work conventional transmission electron microscopy (CTEM) and high resolution electron microscopy (HRTEM) were used in order to determine the effect of the Sb excess in the structural characteristics of the material, mainly after thermal treatment. A structure model based on the ordering of the Sb antisites (Sb(Ga)) rather than the Ga vacancies (V(Ga)) is proposed for the observed modulation in small areas of the material.     

Non-linear photo-induced desorption of GaP

Laser-induced desorption of P from GaP at various photon energies near the absorption edge has been measured. The desorption yield is found to start increasing above a certain threshold laser fluence, of which the dependence on the photon energy exhibits a sharp dip near the indirect band gap besides a gradually decreasing component from the indirect band gap to the direct band gap energy. The sharp dip is ascribed to desorption induced by dense excitation of the surface states.     

Strain relief and growth optimization of GaSb on GaP by molecular beam epitaxy

In this paper, the impact of growth parameters on the strain relaxation of highly lattice mismatched (11.8%) GaSb grown on GaP substrate by molecular beam epitaxy has been investigated. The surface morphology, misfit dislocation and strain relaxation of the GaSb islands are shown to be highly related to the initial surface treatment, growth rate and temperature. More specifically, Sb-rich surface treatment is shown to promote the formation of Lomer misfit dislocations. Analysis of the misfit dislocation and strain relaxation as functions of the growth temperature and rate led to an optimal growth window for a high quality GaSb epitaxial layer on (001) GaP. With this demonstrated optimized growth, a high mobility (25?500?cm(2)?V (-1)?s(-1) at room temperature) AlSb/InAs heterostructure on a semi-insulating (001) GaP substrate has been achieved.     

用赝势微扰法计算某些半导体的能带结构(用于GaAs,GaP和Ga[As1-xPx]合金)

用赝势微扰法计算了GaAs,GaP和Ga[As_1-xP_x]合金的能带。赝势选择的原则是使计算所得直接能隙和间接能隙与实验值相符合。计算结果表明,不但能带次序准确,而且与室温下的实验值符合得很好。基于由GaAs到GaP晶格常数和赝势是线性变化的假设,计算了GaP含量为20％,50％和80％时Ga[As_1-xP_x]合金的能带。当GaP含量为41％时,直接能隙和间接能隙相等,这一数值刚好是Spitzer和Fenner的实验值的平均值。此时,由于很好满足光激射器p-n结所要求的条件,因此可望在光激射器中得到应用,它们的能带也就有一定的参考价值。     

The behavior of the electron energy bands in solid solutions of GaP and ZnSe

Detailed optical measurements near the band gap of the system GaP-ZnSe have provided evidence for sharp decreases in the energy band gaps for small levels of solution, here studied for compositions close to pure GaP. This is seen for both the indirect gap and the direct gap near the pure GaP end. Similar behavior has been observed in other solid solutions of systems having different valences. Deviations from the behavior proposed by Fischer, Glicksman and Van Vechten are suggested as due to the effect on electron energy states of the effective high density of ions at dilute solution levels.     

An Improved Study of Electronic Band Structure and Optical Parameters of X-Phosphides (X=B,Al, Ga,In) by Modified Becke-Johnson Potential

We report the electronic band structure and optical parameters of X-Phosphides (X=B, Al, Ga, In) by first-principles technique based on a new approximation known as modified Becke-Johnson (mBJ). This potential is considered more accurate in elaborating excited states properties of insulators and semiconductors as compared to LDA and GGA. The present calculated band gaps values of BP, AlP, GaP, and InP are 1.867 eV, 2.268 eV, 2.090 eV, and 1.377 eV respectively, which are in close agreement to the experimental results. The band gap values trend in this study is as: E_g(mBJ-GGA/LDA) > E_g(GGA) > E_g(LDA). Optical parametric quantities (dielectric constant, refractive index, reflectivity and optical conductivity) which based on the band structure are also presented and discussed. BP, AlP, GaP, and InP have strong absorption in between the energy range 4-9 eV, 4-7 eV, 3-7 eV, and 2-7 eV respectively. Static dielectric constant, static refractive index and coefficient of reflectivity at zero frequency, within mBJ-GGA, are also calculated. BP, AlP, GaP, and InP show significant optical conductivity in the range 5.2-10 eV, 4.3-8 eV, 3.5-7.2 eV, and 3.2-8 eV respectively. The present study endorses that the said compounds can be used in opto-electronic applications, for different energy ranges.     

An Improved Study of Electronic Band Structure and Optical Parameters of X-Phosphides (X=B,Al, Ga,In) by Modified Becke-Johnson Potential

We report the electronic band structure and optical parameters of X-Phosphides (X=B, Al,Ga,In) by first-principles technique based on a new approximation known as modified Becke-Johnson (mBJ). This potential is considered more accurate in elaborating excited states properties of insulators and semiconductors as compared to LDA and GGA. The present calculated band gaps values of BP, AlP, GaP, and InP are 1.867 eV, 2.268 eV, 2.090 eV, and 1.377 eV respectively, which are in close agreement to the experimental results. The band gap values trend in this study is as: Eg (mBJ-GGA/LDA)Eg (GGA) Eg (LDA). Optical parametric quantities (dielectric constant, refractive index, reflectivity and optical conductivity) which based on the band structure are also presented and discussed. BP, AlP, GaP, and InP have strong absorption in between the energy range 4-9eV, 4-7eV, 3-7eV, and 2-7eV respectively. Static dielectric constant, static refractive index and coefficient of reflectivity at zero frequency, within mBJ-GGA, are also calculated. BP, AlP, GaP, and InP show significant optical conductivity in the range 5.2-10eV, 4.3-8eV, 3.5-7.2eV, and 3.2-8eV respectively. The present study endorses that the said compounds can be used in opto-electronic applications, for different energy ranges.     

Plasmon-interband coupling in gallium compounds

Electro energy loss spectra have been measured for metallic Ga and the semiconductor compounds GaSb, GaAs, GaP and GaN. The intensity at the measured plasmon energy decreases with increasing ionicity of the compound semiconductor. This is explained by a simple model involving the coupling of plasmon oscillations and interband transitions.     

Luminescence investigations of the GaP-based dilute nitride Ga(NAsP) material system

Multi-quantum well heterostructures (MQWHs) of the novel Ga(NAsP)/GaP material system have been grown, pseudomorphically strained to GaP-substrate. The crystalline perfection is verified by transmission electron microscopy (TEM). For As-concentrations in excess of about 70%, a direct band structure and adequate luminescence efficiency for laser device application is observed. Temperature-dependent photoluminescence (PL) investigations show the influence of carrier localisation and non-radiative recombination processes typical for dilute nitride materials. With rising N content in the active material, the emission wavelength shifts towards longer wavelength, leading to Ga(NAs)/GaP MQW structures with photon energies below the indirect band gap of silicon (Si). At the same time the luminescence intensity drops due to an increase in non-radiative carrier traps and/or structural degradation.     

Above GaSb barrier in type II quantum well structures for mid-infrared emission detected by Fourier-transformed modulated reflectivity

Modulation spectroscopy in its Fourier-transformed mode has been employed to investigate the optical properties of broken gap ‘W’-shaped GaSb/AlSb/InAs/InGaSb/InAs/AlSb/GaSb quantum well structures designed to emit in the mid infrared range of 3–4 μm for applications in laser-based gas sensing. Besides the optical transitions originating from the confined states in the type II quantum wells, a number of spectral features at the energy above the GaSb band gap have been detected. They have been analyzed in a function of InAs and GaSb layer widths and ultimately connected with resonant states in the range of AlSb tunneling barriers.     

Confirmation of bulk modulus model of III–V compounds under pressure effect using tight-binding method

The electronic band structure for GaAs, GaSb and GaP is studied using semi-empirical tight-binding sp³s* method for tetrahedrally coordinated cubic materials. By means of our empirical model, the structural property of bulk modulus at critical transition pressure is calculated. Also, the GaAs, GaSb and GaP compounds are found to be indirect-gap semiconductors under pressure effect. The noticed behaviour of the bonding character reflects the structural phase transition. These results are in good agreement with experimental and theoretical data.     

Filtering properties of polar semiconductors

The variation of the dielectric function with frequency has been studied for polar semiconductors. The strong coupling between the surface plasmons and surface optical phonons at the surface of a polar semiconductor leads to the study of its filtering properties. The effect of a dc magnetic field on the filtering properties has also been studied. This study on six polar semiconductors GaSb, InSb, InAs, GaAs, GaP and InP has shown that they behave as a band pass and high pass filter.     

应变对两层半氢化氮化镓薄膜电磁学性质的调控机理研究

采用基于密度泛函理论的第一性原理模拟计算,研究了在应变作用下两层半氢化氮化镓纳米薄膜的电学和磁学性质.没有表面修饰的两层氮化镓纳米薄膜的原子结构为类石墨结构,并具有间接能隙.然而,当两层氮化镓纳米薄膜的一侧表面镓原子被氢化时,该纳米薄膜却依然保持纤锌矿结构,并且展示出铁磁性半导体特性.在应变作用下,两层半氢化氮化镓纳米薄膜的能隙可进行有效调控,并且它将会由半导体性质可转变为半金属性质或金属性质.这主要是由于应变对表面氮原子的键间交互影响和p-p轨道直接交互影响之间协调作用的结果.该研究成果为实现低维半导体纳米材料的多样化提供了有效的调控手段,为其应用于新型电子纳米器件和自旋电子器件提供重要的理论指导.     

二维缺陷GaAs电子结构和光学性质第一性原理研究

采用基于密度泛函理论的第一性原理方法计算了存在Ga空位缺陷和掺杂B原子的二维GaAs的能带结构、态密度和光学性质.计算结果表明空位缺陷二维GaAs显示出金属特性,B原子的引入使体系变为间接带隙半导体,禁带宽度为0.35 eV.态密度计算发现体系低能带主要由Ga的s态、p态、d态和As的s态、p态构成;高能带主要由Ga和As的s态、p态构成.掺杂B原子与存在空位缺陷的二维GaAs相比,静态介电常数相对较低,变为8.42,且易于吸收紫外光,在3.90～8.63 eV能量范围具有金属反射特性,反射率达到52%.