Sputtering of A 3 B 5 materials (GaP, GaAs, GaSb, InP, and InSb) by 2-to 14-keV N 2 + ions

Investigations of the general characteristics and distinctive features of sputtering of A ³ B ⁵ materials (GaP, GaAs, GaSb, InP and InSb) under bombardment with N ₂ ⁺ ions have been carried out. From the experimental data, dependences of the sputtering yield of these materials on the incidence angle and ion energy have been obtained and the surface relief patterns produced by target etching have been studied. It has been shown that the dependence on energy of the sputtering yield for GaP, GaAs, and InP can be adequately described by the Haffa-Switkovski formula for binary materials and Yudin’s approximation for elemental targets. Sputtering of GaSb and InSb proceeds in the surface layer recrystallization mode, and the sputtering yield agrees with calculations based on Onderlinden’s model. From a comparison of the experimental and calculated dependences, the surface bonding energies have been determined.     

Piezoelectricity in two‐dimensional group III–V buckled honeycomb monolayers

We studied the elastic and piezoelectric properties of buckled honeycomb group III–V monolayers (GaP, GaAs, GaSb, InP, InAs and InSb) by DFT calculations. Those buckled monolayers are ferroelectric and have nonzero e₁₁, e₃₁, d₁₁ and d₃₁ piezoelectric coefficients. Our calculations show that those monolayers are good piezoelectric materials and a pronounced periodic trend of the piezoelectric coefficients e₁₁, e₃₁, d₁₁ and d₃₁ was found. Group III–V monolayers are promising candidates for future atomically thin piezoelectric applications such as transducers, sensors, and energy harvesting devices.     

Infrared modulated reflectance spectra of n and p type gallium antimonide and n type indium antimonide

We have observed the modulated reflectance spectra of n and p type GaSb at 300, 80, and 5 K from 0.56 to 2 eV. The modulated reflectance of intrinsic n type InSb was measured at 80 K from 0.2 to 2 eV. The “dry sandwich” vapor deposition technique was used to make the electroreflectance (ER) samples. The low-temperature spectrum of the undoped p type GaSb sample shows three peaks at the band edge that could be associated with transitions from the top of the valence band, the light (0.903 eV) and heavy (1.014eV) hole state Fermi levels to the conduction band. The energies of the observed peaks are in agreement with the Fermi level determination from Hall effect and Faraday rotation measurements. This modulation mechanism is based on band population effects. The ER signal of InSb under flatband condition at 80 K has five half oscillations at the direct band gap. The contribution of piezoelectric strain to ER is present since the dc bias required to achieve flatband condition is different at the band gap than at E₁. The ER signal corresponding to the direct gap energy E₀ and to the spin-orbit energy E₀ + Δ₀ was determined in the n and p type samples of GaSb at different temperatures. We have measured the intrinsic energy gap in GaSb at room temperature. E_g = 0.74 eV. The corresponding spin-orbit splitting was found to be Δ₀ = 0.733 ± 0.002 eV.     

Energieverlustmessungen an III–V-Verbindungen

Energy loss measurements with 55 keV electrons were made on the III–V compounds GaP, GaAs, GaSb, InAs and InSb. Retardation effects become important, because for these substances the condition for Cerenkov radiation is fulfilled. These produce an additional peak in the energy loss spectrum; its angular distribution and its dependance on the foil thickness were measured. The experimental results are in good agreement with the energy loss probability calculated by Kröger taking into account the retardation. Retardation- and surface effects vanish for scattering anglesθ≧0.6; 0.6 mrad. Then it is possible to determine the energy loss function Im(1/?). By means of the KramersKronig analysis the optical constants? ₁ and? ₂ were computed. The values are in agreement with data obtained from optical measurements.     

Ab initio calculations of the deformation potentials for intervalley phonon-assisted transitions in АIIIВV crystals with sphalerite structure

Completely self-consistent ab initio calculations of scattering of electrons between the lowest minima of the conduction band by short-wavelength phonons are performed for the first time for a group of А ^III В ^V semiconductor crystals. The structure constants, electron and vibrational spectra, and probabilities of scattering are calculated for the crystals from unified positions within the electronic density functional method. The theory does not involve any phenomenological assumptions on positions of minima in the conduction band, effective carrier masses, interatomic forces, or scattering probabilities. The electron-phonon coupling constants (the deformation potentials) for actual Γ−X, Γ−L, and X−L transitions for scattering between the nonequivalent X−X and L−L valleys in the conduction bands of AlP, AlAs, AlSb, GaP, GaAs, GaSb, InP, InAs, and InSb crystals with sphalerite structure are calculated. Results obtained are compared with theoretical calculations within the phenomenological rigid ion model and with those performed by the selfconsistent frozen phonon method.     

Angular and energy dependences of the surface excitation parameter for semiconducting III-V compounds

Sum-rule-constrained extended Drude dielectric functions were used to study surface excitations generated by energetic electrons moving across surfaces of semiconducting III-V compounds. Parameters in the dielectric functions were determined from fits to experimental optical data and electron energy-loss spectra. Electron inelastic mean free paths (IMFPs) in GaN, GaP, GaAs, GaSb, InAs and InSb were calculated for electron energies between 200 and 2000 eV, and the results were found to follow the simple formula, i.e., λ = kE^p, where λ is the IMFP and E is the electron energy. Surface excitation parameters (SEPs), which describe the total probability of surface excitations by electrons crossing the surface and travelling in vacuum, were also calculated for different electron energies and crossing angles. The SEP was found to follow the simple formula, i.e., , where P_s is the SEP and α is the crossing angle relative to the surface normal.     

Photoemission of GaAs and InSb core levels

The energy distribution spectra of photoelectrons emitted from the 3d levels of Ga in GaAs and of4d of In in InSb by 40.8 and 48.4 eV photons is reported. These photons produce photoelectrons with very sharp thresholds, which can be used for an accurate determination of the binding energy of core levels with respect to the top of the valence bands.     

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.     

Temperature dependence of the energy separation between Γ and L minima in n-type GaSb

Energy separation ΔE_c between Λ and L minima of GaSb conduction band is deduced from temperature dependence of tunneling current in p−n junctions. ΔE_c is found to inceasing vx. temperature with a coefficient d(ΔE_c/dT) of about - 2.10^-4eV/dgK.     

Adiabatic bond charge model for the phonons in A3B5 semiconductors

The adiabatic bond-charge model is extended to describe phonon dispersion curves and elastic properties in A³B⁵ semiconductors. Asymmetry of the bond-charge position and of the force constants involving them is found to be the main consequence of ionicity. A six-parameter model provides a good fit to the experimental data for GaAs, GaSb and InSb. A small seventh parameter describing weak second-neighbor interactions is needed in GaP. Trends in the force-constant parameters are discussed.     

A Semi-empirical tight-binding theory of the electronic structure of semiconductors2

A nearest-neighbor semi-empirical tight-binding theory of energy bands in zincblende and diamond structure materials is developed and applied to the following sp³-bonded semiconductors: C, Si, Ge, Sn, SiC, GaP, GaAs, GaSb, InP, InAs, InSb, AlP, AlAs, AlSb, ZnSe, and ZnTe. For each of these materials the theory uses only thirteen parameters to reproduce the major features of conduction and valence bands. The matrix elements exhibit chemical trends: the differences in diagonal matrix elements are proportional to differences in free-atom orbital energies and the off-diagonal matrix elements obey the d^?2 rule of Harrison et al. The lowest energy conduction bands are well described as a result of the introduction of an excited s state, s¹. on each atom. Examination of the chemical trends in this sp³s¹ model yields a crude but “universal” sp³s¹ model whose parameters do not depend explicitly on band gaps, but rather are functions of atomic energies and bond lengths alone. The “universal” model, although cruder than the sp³s¹ model for any single semiconductor, can be employed to study relationships between the band structures of different semiconductors; we use it to predict band edge discontinuities of heterojunctions.     

Dissociative multiple photoionization of Br2, IBr,and I2 in the VUV and X-ray regions: a comparative study of the inner-shell processes involving Br(3d,3p,3s) and I(4d,4p,4s,3d,3p)

Dissociative multiple photoionization of the bromine, the iodine monobromide, and the iodine molecules in the Br(3d,3p,3s) and I(4d,4p,4s,3d,3p) inner-shell regions has been studied by using time-of-flight (TOF) mass spectrometry coupled to synchrotron radiation in the ranges of 90∼978 eV for Br₂, 60∼133 eV for IBr, and 86∼998 eV for I₂. Total photoion and photoion–photoion coincidence (PIPICO) yields have been recorded as functions of the photon energy. Here, giant shape resonances have been observed beyond the thresholds of the inner-shells owing to the Br(3d¹⁰)→Br(3d⁹ϵf), I(4d¹⁰)→I(4d⁹ϵf), and I(3d¹⁰)→I(3d⁹ϵf) transitions. The dissociation processes of the multiply charged parent ions have also been evaluated from variations of photoelectron–photoion coincidence (PEPICO) and PIPICO spectra with the photon energy. From each Br(3p_3/2) (189.9 eV) and I(4p_3/2) threshold (129.9 eV), quintuple ionization of the molecules begins to play important roles in the photoionization, subsequently yielding ion pairs of X³⁺–X²⁺ (X=Br, I). From the I(3d_5/2) threshold (627.3 eV), loss of six electrons from iodine molecule additionally begins to play a minor role in the multiple photoionization, giving rise to the formation of ion pairs of either I³⁺–I³⁺ or I⁴⁺–I²⁺. A direct comparison of the strengths and the ranges of the I(4d) and Br(3d) giant resonances was successfully made from dissociative photoionization of IBr. Over the entire energy range examined, 60<E<133 eV, biased charge spread relevant to the specific core-hole states of IBr is observed, presumably reflecting the fact that charge localizes mostly in the excited atoms, which can be accounted for mainly by a two step decay via a fast dissociation followed by autoionization upon the VUV absorption.     

Band discontinuity in GaAs/AlAs superlattices with InAs strained insertion-layers

We have theoretically investigated the valence-band discontinuity (ΔE_v) at the (100) GaAs/AlAs interface with the InAs strained insertion-layer. The theoretical calculation is carried out by the self-consistent tight-binding method with the sp³s* basis in the (GaAs)₅/(InAs)₁/(AlAs)₅/(InAs)₁ [100] superlattice. ΔEv at the GaAs/InAs(1ML)/AlAs interface is calculated to be 0.50 eV, which is practically equal to ΔEv = 0.51 eV at the GaAs/AlAs interface with no InAs layers. The insertion of the InAs monolayer changes the detail of valence charge density at the GaAs/AlAs interface but does not change ΔE_v. The result of calculation is in consistent with our experimental measurement by using the x-ray photoelectron spectroscopy.     

Indirect exciton dispersion in III–V semiconductors: “Camel's back” in GaP

A new perturbation approach to exciton dispersion in indirect gap semiconductors is developed. For GaP and AlSb existence of the “camel's back” in exciton dispersion is confirmed, and a precise value of the “camel's back” parameter for X^c₁-minima in GaP is reported: E(X^c₁)?E_min(Δ^c₁)=3.5±0.3 meV. At the X-point the 21.44 and 19.48 meV exciton binding energies in GaP are obtained. The corresponding valley-anisotropy splitting is 1.96 meV.     

Ferromagnetism in epitaxial layers of gallium and indium antimonides and indium arsenide supersaturated by manganese impurity

We report on laser synthesis of thin 30–200 nm epitaxial layers with mosaic structure of diluted magnetic semiconductors GaSb:Mn and InSb:Mn with the Curie temperature T_C above 500 K and of InAs:Mn with T_C no less than 77 K. The concentration of Mn was ranged from 0.02 to 0.15. In the case of InSb:Mn and InAs:Mn films, the additional pulse laser annealing was needed to achieve ferromagnetic behavior. We used Kerr and Hall effects methods as well as ferromagnetic resonance (FMR) spectroscopy to study magnetic properties of the samples. The anisotropy FMR was observed for both layers of GaSb:Mn and InSb:Mn up to 500 K but it takes place with different temperature dependencies of absorption spectra peaks. The resonance field value and amplitude of FMR signal on the temperature is monotonically decreased with the temperature increase for InSb:Mn. In the case of GaSb:Mn, this dependence is not monotonic.     

Optical spectroscopy in semiconductors in high magnetic fields using polarization modulation

Differential magneto-reflection spectra in the 1.8 to 5 eV energy range are presented for GaP, Ge, GaAs, InSb, and Si. These spectra were obtained using polarization-modulated light from [111] faces of samples in the Faraday configuration. In medium strength magnetic fields, the results are similar to those obtained using other techniques, such as electric field modulation and wavelength derivative spectroscopy in the same energy range. In higher magnetic fields (B of 50 kG or larger) more detailed structure is resolved. Oscillations attributed to Landau level transitions have been seen at critical points in the visible in InSb and in GaSb in fields up to 100 kG. At the E₁ edge an unexpected anomaly has been observed in InSb. Within experimental error, the Landau levels are equally spaced for n < 5 and n > 5 but at n = 5 there is an abrupt change in the cyclotron energy. Here n is the usual magnetic quantum number. The transverse masses are measured as $\text{m}\text{μ}{}_1\text{= 18.9 ± 0.9 (n < 5)}$, and $\text{m}\text{μ}{}_2\text{= 16.0 ± 0.9 (n > 5)}$. Possible causes of this effect are discussed. In GaSb at the corresponding threshold. Landau level observations give a mass value of $\text{m}\text{μt}\text{= 21.4 ± 1.5}$.     

第一原理研究界面弛豫对InAs/GaSb超晶格界面结构、能带结构和光学性质的影响

通过广义梯度近似的第一原理全电子相对论计算, 研究了不同界面类型InAs/GaSb超晶格的界面结构、电子和光吸收特性. 由于四原子界面的复杂性和低对称性, 通过对InAs/GaSb超晶格进行电子总能量和应力最小化来确定弛豫界面的结构参数. 计算了InSb, GaAs型界面和非特殊界面(二者交替)超晶格的能带结构和光吸收谱, 考察了超晶格界面层原子发生弛豫的影响.为了证实能带结构的计算结果, 用局域密度近似和Hartree-Fock泛函的平面波方法进行了计算. 对不同界面类型InAs/GaSb超晶格的能带结构计算结果进行了比较, 发现界面Sb原子的化学键和离子性对InAs/GaSb超晶格的界面结构、 能带结构和光学特性起着至关重要的作用.     

Luminescence above the gap in heavily Zn-doped GaAs

Several distinct features have been observed in the photoluminescence spectrum of heavily Zn-doped GaAs, in the range between 1.65eV to 2.25eV. They are attributed to direct recombination across the E_o+?_o gap and to indirect processes related to X^c₁ and X^c₃. The X^c₁ minima are thus located to be 1.935±0.01eV above the top of the valence band at 100K. Their shear deformation potential $\text{E}$^X₂ is found to be $\text{E}{}^{\mathrm{X}}{}_2\text{=5.5±2eV}$.     

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.     

Principal energy band gaps of the quaternary alloy AlxGa1−xSbyAs1−y

The correlated function expansion (CFE) interpolation procedure was presented to efficiently estimate principal energy band gaps and lattice constants of the quaternary alloy Al_xGa_1−xSb_yAs_1−y over the entire composition variable space. The lattice matching conditions between x and y for the alloy Al_xGa_1−xSb_yAs_1−y substrated to InAs and GaSb were obtained by optimizing the alloy lattice constant to that of the substrates. The corresponding principal band gaps (E(Γ), E(L), and E(X)) were also calculated along the lattice matching condition on each substrate (InAs and GaSb).