Isothermal capacitance transient spectroscopy (ICTS) study for midgap levels in Hb-GaAs by rapid thermal annealing

We studied the midgap levels by using isothermal capacitance transient spectroscopy (ICTS) in Hb-GaAs which had been processed by rapid thermal annealing (RTA). As the annealing time at 850 °C increased, the EL2 trap (E _c–0.81 eV) was transformed to the EX2 trap (E _c–0.73 eV) and eventually to the EX1 trap (E _c–0.87 eV). The diffusivity of the EL2 trap obtained from the experimental result of the heat treatment was about 1.02·10^–8cm²/s at 850 °C. This result indicate that the EL2 trap contains an interstitial arsenic atom. The result of the transformation to the EX1 and EX2 traps suggests that, when the EL2 trap is V_AsAS_iV_GaAs_Ga, the EX2 trap may be V_AsV_GaAs_Ga, which As_i is diffused out during a thermal annealing.     

Defects in as-grown and annealed AlxGa1−xAs single crystals

Photoluminescence studies were made on Sn-, Te- and Ge-doped Al_xGa_1-xAs single crystals before and after annealing at 800°C for 21 h in evacuated and sealed quartz ampoules. The thin p-type surface layer, which was present on all nondegenerate n-Al_xGa_1-x As crystals after annealing, is attributed to the introduction of Si from the inner wall of the ampoule to form shallow Si_As and V_As-Si_As acceptor defects. Sn_As, V_Ga-Te (or) V_Al-Te), Ge_As and V_As-Ge_As defects were observed in Sn-, Te- and Ge-doped Al_x Ga_1-xAs after annealing. The defects were identified by plotting their characteristic recombination radiation energies versus Al composition x and comparing with previously established assignments in GaAs (x = 0). Two prominent bands, located at 1.53 and 1.46 eV independent of Al composition x, were detected in annealed (p) Al_xGa_1-xAs: Ge. The exact nature of the defects giving rise to these bands is not known.     

On the validity of the amphoteric-defect model in gallium arsenide and a criterion for Fermi-level pinning by defects

Using the theoretically calculated point-defect total-energy values of Baraff and Schlüter in GaAs, anamphoteric-defect model has been proposed by Walukiewicz to explain a large number of experimental results. The suggested amphoteric-defect system consists of two point-defect species capable of transforming into each other: the doubly negatively charged Ga vacancyV _Ga ^2– and the triply positively charged defect complex (AS_Ga+V _As)³⁺, with As_Ga being the antisite defect of an As atom occupying a Ga site andV _As being an As vacancy. When present in sufficiently high concentrations, the amphoteric defect systemV _Ga ^2– /(As_Ga+V _As)³⁺ is supposed to be able to pin the GaAs Fermi level at approximately theE _v +0.6 eV level position, which requires that the net free energy of theV _Ga/(As_Ga+V _As) defect system to be minimum at the same Fermi-level position. We have carried out a quantitative study of the net energy of this defect system in accordance with the individual point-defect total-energy results of Baraff and Schlüter, and found that the minimum net defect-system-energy position is located at about theE _v +1.2 eV level position instead of the neededE _v +0.6 eV position. Therefore, the validity of the amphoteric-defect model is in doubt. We have proposed a simple criterion for determining the Fermi-level pinning position in the deeper part of the GaAs band gap due to two oppositely charged point-defect species, which should be useful in the future.     

Study of the stable structures of Ga6As6 cluster using FP-LMTO MD method

We have investigated the structures and energies of a Ga₆As₆ cluster using full-potential linear-muffin-tin-orbital molecular-dynamics calculations. 9 stable structures were obtained for a Ga₆As₆ cluster, including the structure, a cube with two capped Ga–As pairs considered by Yi (Chem. Phys. Lett. 325 (2000) 269), who used the Car–Parrinello method based on the pseudopotential method and the local density functional formalism. However, the ground state we obtained is a distorted structure of a bicapped pentaprism, the energy of which is lower than that of Yi. Furthermore, we found the structure a1 presented semiconductor-like properties through the calculation of the density of states.     

Nature of gallium deep centres in lead telluride based semiconductors

Doped with Ga lead telluride was taken as a model object to explain the nature of group-III deep levels in IV-VI semiconductors and to elucidate the vapour phase doping mechanism. For this goal, interaction of various gallium-containing molecules with defect-free crystal as well as with native defects in PbTe was considered. Formation energies for different point defects created in PbTe as a result of interaction the Ga₂Te molecules, Ga₂ dimers and single Ga atoms with a host crystal were calculated using density functional theory. Particularly Ga_Pb and Ga_i together with formation of accompanied self interstitials Pb_i in various charge states were examined. In addition we propose the new type of defects - the impurity complex (2Ga)_Pb which looks like <111>-oriented gallium dumbbell. Calculations suggest the double donor behaviour and DX-like properties of this defect together with extremely low formation energy values. Namely, (2Ga)_Pb centres are preferably formed under Ga₂Te doping while (Ga₂)_Pb+Pb_i ones are formed under Ga₂ or Ga doping. In all cases, formation energies are negative and resulting defect concentration is determined by reaction kinetics only. Mechanisms of the lead vacancy compensation with the vapour phase doping are considered as well.     

Study of n type porous GaAs by photoluminescence spectroscopy: Effect of the etching time on the deep levels

Photoluminescence (PL) analysis is used to study porous layers elaborated by electrochemical etching of n⁺ Si-doped GaAs substrate with different etching times. Temperature and power dependence photoluminescence (PL) studies were achieved to characterize the effect of the etching time on the deep levels of the n⁺ Si-doped GaAs. The energy emission at about 1.46 eV is attributed to the band-to-band (B-B) (e-h) recombination of a hole gas with electrons in the conduction band. The emission band is composed of four deep levels due to the complex of (V_AsSi_GaV_Ga), a complex of a (Ga vacancy - donor - As vacancy), a (Si_Ga-V_Ga³⁻) defect or Si clustering, and a (gallium antisite double acceptor-effective mass donor pair complex) and which peaked, respectively, at about (0.94, 1, 1.14, and 1.32 eV). The PL intensity behavior as function of the temperature is investigated, and the experimental results are fitted with a rate equation model with double thermal activation energies.     

Bond properties of the chalcopyrite and stannite phases in the Cu–(In,Ga)–Se system

Bond properties of the chalcopyrite and (defect) stannite phases in the Cu–(In,Ga)–Se system are compared in view of the bond overlap population calculated by the molecular orbital calculation of the DV-Xα method. Bond stretching force constant α is estimated for the stannite phases through the bond Ovlp. The Cu–Se and In(Ga)–Se bonds in defect stannite structure are considered to be mechanically weakened by the 2b-site vacancies. We estimate the weakened force constants to be 60–70% of those in the chalcopyrite structure. On the other hand, in In(Ga)-rich stannite, In(Ga)_4d–Se_8i and In(Ga)_2b–Se_8i bonds are estimated to be tighter by 23–25 and 8–9%, respectively, than In(Ga)_4b–Se_8d bond in the chalcopyrite structure. The Γ₁ frequencies of the stannite phases are also calculated using the estimated force constants. Characteristic Raman signals peaked at 160–175 cm⁻¹ observed for the Cu(In_1−xGa_x)₃Se₅ system are explained by the Cu-rich phase for the Cu–In–Se system, and the phase combination of Cu-rich and Ga_2aV_2b types for the Cu–Ga–Se system from these calculations.     

First-principles study of Ga7As7 ionic cluster and influence of multi-charge on its structure

This paper investigates the structures and stabilities of neutral Ga7As7 cluster and its ions in detail by using first-principles density functional theory. Many low energy structures of Ga7As7 cluster are found. It confirms that the ground state structure of neutral Ga7As7 cluster is a pentagonal prism with four face atoms like a basket structure, as reported by previous works. The ground state structures of positive Ga7As7 cluster ions are different from that of the neutral cluster. These investigations suggest that Ga atoms occupy the capping positions more easily than As atoms. Mulliken population analyses also show that Ga atoms can lose or obtain charge more easily than As atoms. It finds that the neutral Ga7As7 cluster can become more stable by gaining one or two additional electrons but further more electrons would cause the decrease of binding energy. The ionisation energy increases with the increase of the number of the removed electrons. These calculated results indicate that the net magnetic moment of the neutral Ga7As7 cluster is zero because all electrons are paired together in their respective molecular orbits. But for the ionic Ga7As7 cluster with odd number of electrons, the net magnetic moment is 1.0 μB due to an unpaired electron.     

电子顺磁共振“AsGa”的光淬灭行为与EL2亚稳态机理

根据Goltzene等人最近关于原生LEC,HB,压缩变形和中子辐照GaAs中电子顺磁共振(EPR)“As_Ga”谱低温光淬灭实验结果,结合Baraff和Schlüter最近关于EL2亚稳态的理论计算,本文认为可进一步证实作者之一在1981年提出的EL2(As_GaV_AsV_Ga)缺陷模型,同时还对Wager和Van Vechten最近提出的EL2(As_GaV_AsV_Ga)的亚稳态机理加以评述和修正。 关键词：     

X射线吸收谱对Ga0.946Mn0.054As薄膜中缺陷的研究

采用低温分子束外延法(LT-MBE)制备出Ga_0.946Mn_0.054As稀磁半导体(DMS)薄膜.通过X射线吸收谱(XAS)研究影响Ga_0.946Mn_0.054As薄膜性质的主要缺陷Mn间隙原子(Mn_I)和As反位原子(As_Ga).实验结果表明,在较低生长温度(T_S=200℃)下Ga_0.946Mn_{0.054 关键词： 0.946}Mn_0.054As稀磁半导体')" href="#">Ga_0.946Mn_0.054As稀磁半导体 X射线吸收谱 As反位缺陷 Mn间隙原子     

Photoluminescence studies of vacancies and vacancy-impurity complexes in annealed GaAs

Photoluminescence measurements made at various depths below the surface of annealed GaAs single crystals are compared with vacancy distribution profiles obtained from electrical measurements. Results on undoped n-GaAs indicate that isolated Ga or As vacancies form non radiative centers. A broad-band emission at 1.20 eV, arising from V_Ga-donor complexes, is observed in spectra taken from n-type samples doped with Si, Sn or Te. The intensity of the 1.20eV band varies with depth and reaches its maximum value in the region where Ga vacancies are dominant. These results show the consistency between photoluminescence and electrical measurements. A band at 1.37eV has previously been assigned to V_As-acceptor complexes. This band was observed in this study only when the samples had been annealed in ampoules prepared from quartz containing traces of Cu. It is concluded that the 1.37eV band is due to Cu contamination rather than V_As-acceptor complexes.     

Formation of the single-phase ferromagnetic semiconductor (Ga,Mn)As by pulsed laser annealing

It is shown that (Ga,Mn)As layers formed by Mn⁺ ion implantation into GaAs and subsequent annealing by an excimer laser pulse with an energy density to 200–300 mJ/cm² feature the properties of the p-type semiconductor and ferromagnetic properties. The threshold dose of implanted ions (~10¹⁵ cm^–2) for activating Mn acceptors is determined. The sheet hole concentration and the Curie temperature increase with further increasing Mn⁺ ion dose. Hysteresis loops in the magnetic field dependences of the Hall effect, the negative magnetoresistance, and magnetic and structural studies suggest that the layers are analogues of single-phase ferromagnetic compounds (Ga,Mn)As formed by low-temperature molecular beam epitaxy.     

Low-temperature transport and ferromagnetism in GaAs-based structures with Mn

GaAs structures with implanted Mn and, additionally, with Mg for increasing the hole concentration in the implanted Mn layer are synthesized and investigated. SQUID magnetometer measurements revealed the existence of ferromagnetism in the temperature range 4.2 K ≤ T < 400 K, which is associated with the formation of the Ga_1?x Mn _x As solid solution and MnAs and Ga_1?y Mn _y clusters in the sample as a result of rapid high-temperature annealing. At temperatures from 4.2 to approximately 200 K, the anomalous Hall effect associated with additional magnetization of the sample is observed. As the temperature increases from 4.2 K, the colossal negative magnetoresistance is transformed into a positive magnetoresistance at T ≈ 35 K.     

Features of the formation of Mn doped InAs/GaAs quantum dots by vapor phase epitaxy

A self-organized InAs/GaAs quantum dot (QD) array is doped with Mn. The effect of the Mn concentration on the morphology and QD luminescence properties is investigated. It is found that Mn deltadoping of the GaAs buffer layer before QD growth with a layer concentration of 10¹⁴ cm^?2 leads to the formation of an array of large QDs with variable composition In _x Ga_{1 ? x} As. The effect is explained within a model of In and Ga atom interdiffusion.     

Kβ2 X-ray emission bands of Ga and As and their compounds

Ga and As Kβ₂ emission bands of the compounds under study consist of a more or less pronounced Kβ₂ main band, a short-wavelength side band which according to calculations by the ‘sudden approximation’ method may be essentially assigned to a KM_IV,V → M_IV,VN_II,III satellite, and long-wavelength 3d → 1s bands. Compounds such as Ga₂(SO₄)₃, Ga(NO₃)₃, Ga₂O₃, NaH₂AsO₄, K₃AsO₄, and As₂O₃ also show long-wavelength side-maxima at a distance of about 12 and 15 eV, respectively, from the main band, which are due to electron transitions from bands or levels with a preponderant 0 2s character.The Kβ₂ main band of A^IIIB^V compounds is less pronounced owing to the widths of the K levels and to instrumental distortions. The distance between the maxima of the state density of the upper valence bands can be recognized only by a shoulder or asymmetry of the band at the long-wavelength side. By calculation of the Ga and As Kβ₂ bands in GaAs with a pseudopotential kp band structure method, and allowing for the influence of both the transition probability and instrumental distortion excellent agreement with experiment is obtained.     

Solubility and point defect-dopant interactions in gallium arsenide—III: Germanium-doping

The form of the solubility curves for VPE and LPE grown material are rationalised using a thermodynamic model which predicts that compensation of donors in VPE material is due to the donor-gallium vacancy complex Ge_Ga V^?_ga whereas, in LPE material, the dominant acceptor making the material p type is the arsenic substituted state Ge^?_As. Mass action constants for the incorporation reactions for these entities and for the donor Ge⁺_Ga are obtained. The compensation ratio in crystals grown from a congruent melt is predicted to be N_D/N_A ~ 5.9, and the transition to p type conductivity as one grows from Ga-rich solutions at progressively lower temperature is shown to occur at less than 100°C below the congruent melting point so that all LPE material should be p type. The superlinear behaviour of the total-germanium solubility curve at very high doping levels is postulated to be due to the formation of neutral Ge_GaGe_As pairs.     

Dopant diffusion and segregation in semiconductor heterostructures: Part III, diffusion of Si into GaAs

We have mentioned previously that in the third part of the present series of papers, a variety of n-doping associated phenomena will be treated. Instead, we have decided that this paper, in which the subject treated is diffusion of Si into GaAs, shall be the third paper of the series. This choice is arrived at because this subject is a most relevent heterostructure problem, and also because of space and timing considerations. The main n-type dopant Si in GaAs is amphoteric which may be incorporated as shallow donor species Si_Ga ⁺ and as shallow acceptor species Si_As ^-. The solubility of Si_As ^- is much lower than that of Si_Ga ⁺ except at very high Si concentration levels. Hence, a severe electrical self-compensation occurs at very high Si concentrations. In this study we have modeled the Si distribution process in GaAs by assuming that the diffusing species is Si_Ga ⁺ which will convert into Si_As ^- in accordance with their solubilities and that the point defect species governing the diffusion of Si_Ga ⁺ are triply-negatively-charged Ga vacancies V_Ga ^3-. The outstanding features of the Si indiffusion profiles near the Si/GaAs interface have been quantitatively explained for the first time. Deposited on the GaAs crystal surface, the Si source material is a polycrystalline Si layer which may be undoped or n⁺-doped using As or P. Without the use of an As vapor phase in the ambient, the As- and P-doped source materials effectively render the GaAs crystals into an As-rich composition, which leads to a much more efficient Si indiffusion process than for the case of using undoped source materials which maintains the GaAs crystals in a relatively As-poor condition. The source material and the GaAs crystal together form a heterostructure with its junction influencing the electron distribution in the region, which, in turn, affects the Si indiffusion process prominently. Received: 19 April 1999 / Accepted: 3 May 1999 / Published online: 4 August 1999     

Substrate effect on the electronic structure in GaxIn1−xAsySb1−y/GaSb and GaxIn1−xAsySb1−y/InAs

We present a theoretical study of the substrate effect on electronic structure in cubic Ga_xIn_1−xAs_ySb_1−y lattice-matched to GaSb and InAs. Our calculations are based on the empirical pseudopotential formalism within the virtual crystal approximation where the effect of disorder is taken into account. We show that the electronic band structure of the quaternary alloy Ga_xIn_1−xAs_ySb_1−y is altered by the change of substrate for the entire range of alloy compositions x. Moreover, we find that at Ga concentrations (x≤0.8), the ionicity is less important when Ga_xIn_1−xAs_ySb_1−y is lattice-matched to GaSb instead of InAs. The information will be useful for the choice of substrate in the composition range 0–1 and hence for the determination of the lattice-matching conditions for Ga_xIn_1−xAs_ySb_1−y quaternary materials.