Electronic structure of GaAs1−xNx under pressure

The electronic band structures of GaAs_1−xN_x for x=0.009, 0.016, 0.031 and 0.062 are calculated ab initio using a supercell approach in connection with the full-potential linear muffin-tin orbital method. Corrections for the ‘LDA gap errors’ are made by adding external potentials which are adjusted to yield correct gaps in pure GaAs. Even small amounts of nitrogen modify significantly the conduction bands, which become strongly non-parabolic. The effective mass in the lowest conduction band thus exhibits strong k-vector dependence. Calculated variations of gaps and effective masses with x and externally applied pressure are presented and compared to a variety of experimental data. There are significant error bars on our results due to the use of the supercell approach. These are estimated by examining the effects of varying the geometrical arrangement of the N-atoms substituting As. However, the calculations show that the electron mass for x>0.009 is much larger than that of pure GaAs, and that it decreases with x.     

Electron surface states in short-period superlattices: (GaAs)2/(AlAs)2(1 0 0)-c(4 × 4)

The electronic structure of (GaAs)₂/(AlAs)₂(1 0 0)-c(4 × 4) superlattice surfaces was studied by means of angular-resolved photoelectron spectroscopy (ARUPS) in the photon energy range 20-38 eV. Four samples with different surface termination layers were grown and As-capped by molecular beam epitaxy (MBE). ARUPS measurements were performed on decapped samples with perfect c(4 × 4) reconstructed surfaces. An intensive surface state was, for the first time, observed below the top of the valence band. This surface state was found to shift with superlattices’ different surface termination in agreement with theoretical predictions.     

Sb incorporation at GaAs(0 0 1)-(2 × 4) surfaces

We examine the Sb incorporation and resulting surface reconstructions of Sb and GaSb deposited on GaAs(0 0 1). These films exhibit a mixed surface reconstruction of α2(2 × 4) and α(4 × 3). Initially, Sb reacts with Ga on the surface to form 2D islands of GaSb with an α(4 × 3) surface reconstruction. The 2D islands grow to a critical size of 30 nm², beyond which the atomic surface structure of the 2D island transforms to a α2(2 × 4) reconstruction in order to reduce the strain induced surface energy. This transformation is limited by the availability of Ga, which is necessary in higher quantities for the α2(2 × 4) reconstruction than for the α(4 × 3). The transformation results in a mixed α2(2 × 4)-α(4 × 3) surface where the surface reconstruction is coupled to the surface morphology, which may in the future provide a pathway for self-assembly of structures.     

Photoluminescence and secondary ion mass spectroscopy characterization of GaAs-AlGaAs quantum wells grown on GaAs (1 0 0) substrates with different surface treatments

GaAs (1 0 0) substrates prepared in a quartz chamber under a H₂/As₄ flux, and then exposed to air were used for the subsequent growth of GaAs-AlGaAs single quantum wells by molecular beam epitaxy. The substrates prepared by this method showed atomically flat surfaces corroborated by atomic force microscopy analysis. Quantum wells grown directly on these substrates without a GaAs buffer layer exhibited narrow and intense photoluminescence peaks, an indication of a high quality material. The secondary ion mass spectroscopy analysis showed oxygen and carbon traces on the first AlGaAs barrier layer grown after air exposure with no effects on the quantum wells optical emissions. From the results we conclude that the prepared GaAs surfaces are useful for the epitaxial growth of high quality quantum structures.     

Ellipsometric investigation of optical constant and energy band gap of Zn1−xMnxSe/GaAs (1 0 0) epilayers

Zn_1−xMn_xSe/GaAs (1 0 0) epilayers were grown using a hot-wall epitaxy method. The spectroscopic ellipsometry was used to determine the optical dielectric constant. The obtained pseudodielectric function spectra revealed the distinct structures at energies of E₀, E₀ + Δ₀, E₁, E₁ + Δ₁, E₂ and  + Δ₀ critical points (CPs) at lower Mn composition range. These critical points were determined by analytical line-shapes fitted to numerically calculated derivatives of their pseudodielectric functions. The peak characteristics were changed with the change in Mn composition. The spectral dependence of pseudodielectric function 〈?〉 was used to obtain the fundamental energy gaps E₀ including a unique relation with Mn composition. Also, the shifting and broadening of the CPs were observed with increasing Mn composition.     

Formation of GaAs1−xNx nanofilm on GaAs by low energy N2 implantation

Nitridation of GaAs (1 0 0) by N₂⁺ ions with energy E_i = 2500 eV has been studied by Auger- and Electron Energy Loss Spectroscopy under experimental conditions, when electrons ejected only by nitrated layer, without contribution of GaAs substrate, were collected. Diagnostics for quantitative chemical analysis of the nitrated layers has been developed using the values of NKVV Auger energies in GaN and GaAsN chemical phases measured in one experiment, with the accuracy being sufficient for separating their contributions into the experimental spectrum. The conducted analysis has shown that nanofilm with the thickness of about 4 nm was fabricated, consisting mainly of dilute alloy GaAs_1−xN_x with high concentration of nitrogen x ∼ 0.09, although the major part of the implanted nitrogen atoms are contained in GaN inclusions. It was assumed that secondary ion cascades generated by implanted ions play an important role in forming nitrogen-rich alloy.     

Nanoscratch behavior of Zn1−xCdxSe heteroepitaxial layers

This paper describes the nanoscratch behavior of Zn_1−xCd_xSe epilayers grown using molecular beam epitaxy (MBE). Transmission electron microscopy (TEM), scanning electron microscopy (SEM), and Hysitron Triboscope nanoindenter techniques were employed to determine the microstructures, morphologies, friction coefficients (μ), and hardnesses (H) of these materials, and thereby propose an explanation for their properties in terms of nanotribological behavior. Nanoscratch analysis revealed that the coefficient of friction of the Zn_1−xCd_xSe epilayer system decreased from 0.172 to 0.139 upon increasing the Cd content (x) from 0.07 to 0.34. Furthermore, studies of the scratch wear depth under a ramping load indicated that a higher Cd content provided the Zn_1−xCd_xSe epilayers with a higher shear resistance, which enhanced the strength of the CdSe bonds. These findings suggest that the greater stiffness of the CdSe bond, relative to that of the ZnSe bond, enhances the hardness of the epilayers. Indeed, the effect of the Cd content on the growth of the Zn_1−xCd_xSe epilayers is manifested in the resulting nanotribological behavior.     

Nanoscratch study of Zn1−xMnxO heteroepitaxial layers

We investigated the nanotribological properties of Zn_1−xMn_xO epilayers (0 ≤ x ≤ 0.16) grown by molecular beam epitaxy (MBE) on sapphire substrates. The surface roughness and friction coefficient (μ) were analyzed by means of atomic force microscopy (AFM) and hysitron triboscope nanoindenter techniques.The nanoscratch system gave the μ value of the films ranging from 0.17 to 0.07 and the penetration depth value ranging 294-200 nm when the Mn content was increased from x = 0 to 0.16. The results strongly indicate that the scratch wear depth under constant load shows that higher Mn content leads to Zn_1−xMn_xO epilayers with higher shear resistance, which enhances the Mn-O bond. These findings reveal that the role of Mn content on the growth of Zn_1−xMn_xO epilayers can be identified by their nanotribological behavior.     

Optical gain spectra of unstrained graded GaAs/AlxGa1 − xAs quantum well laser

We have calculated the optical gain spectra in unstrained graded GaAs/Al_xGa_1 − xAs single quantum well lasers as a function of the energy of the radiation, the quantum well width and the interface thickness. The optical gain spectra were calculated using the density matrix approach (Luttinger–Kohn method), considering the parabolic band model (conduction band), all subband mixing between the heavy and light holes (valence band), and the transversal electrical light polarization. Our results show that the optical peak gain is sensitive to the width and the graded profile of the interfaces, and is blue-shifted as a function of the interface width.     

High-temperature electrical properties of magnesiowustite Mg1 − xFexO and spinel Fe3 − x − yMgxCryO4 ceramics

Phase relationships, thermal expansion and electrical properties of Mg_1 − xFe_xO (x = 0.1-0.45) cubic solid solutions and Fe_{3 − x − y}Mg_xCr_yO_4 ± δ (x = 0.7-0.95; y = 0 or 0.5) spinels were studied at 300-1770 K in the oxygen partial pressure range from 10 Pa to 21 kPa. Increasing iron content enlarges the spinel phase stability domain at reduced oxygen pressures and elevated temperatures. The total conductivity of the spinel ceramics is predominantly n-type electronic and is essentially p(O₂)-independent within the stability domain. The computer simulations using molecular dynamics technique confirmed that overall level of ion diffusion remains low even at high temperatures close to the melting point. Temperature dependencies of the total conductivity in air exhibit a complex behavior associated with changing the dominant defect-chemistry mechanism from prevailing formation of the interstitial cations above 1370-1470 K to the generation of cation vacancies at lower temperatures, and with kinetically frozen cation redistribution in spinel lattice below 700-800 K. The average thermal expansion coefficients of the spinel ceramics calculated from dilatometric data in air vary in the range (9.6-10.0) × 10^− 6 K^− 1 at 300-500 K and (13.2-16.1) × 10^− 6 K^− 1 at 1050-1370 K. Mg_1 − xFe_xO solid solutions undergo partial decomposition on heating under oxidizing and mildly reducing conditions, resulting in the segregation of spinel phase and conductivity decrease.     

Band offsets at the epitaxial anatase TiO2/n-SrTiO3(0 0 1) interface

We have used high-energy resolution X-ray photoelectron spectroscopy to measure valence band offsets at the epitaxial anatase TiO₂(0 0 1)/n-SrTiO₃(0 0 1) heterojunction prepared by molecular beam epitaxy. The valence band offsets range between −0.06 ± 0.05 and +0.16 ± 0.05 eV for anatase thicknesses between 1 and 8 monolayers and three different methods of substrate surface preparation, with no systematic dependence on film thickness. The conduction band offset (CBO) varies over a comparable range by virtue of the fact that anatase and SrTiO₃ exhibit the same bandgap (∼3.2 eV). In contrast, density functional theory predicts the VBO to be +0.55 eV. The lack of agreement between theory and experiment suggests that either some unknown factor in the interface structure or composition excluded from the modeling is influencing the band offset, or that density functional theory cannot accurately calculate band offsets in these oxide materials. The small experimental band offsets have important implications for the use of this interface for fundamental investigations of surface photocatalysis. Neither electrons nor holes are likely to become trapped in the substrate and thus be unable to participate in surface photocatalytic processes.     

Low temperature photoluminescence and photoacoustic characterization of Zn-doped InxGa1−xAsySb1−y epitaxial layers for photovoltaic applications

In this paper we present results on the characterization of Zn-doped InGaAsSb epitaxial layers to be used in the development of stacked solar cells. Using the liquid phase epitaxy technique we have grown p-type InGaAsSb layers, using Zn as the dopant, and n-type Te-doped GaSb wafers as substrates. A series of Zn-doped InGaAsSb samples were prepared by changing the amount of Zn in the melt in the range: 0.1-0.9 mg to obtain different p-type doping levels, and consequently, different p-n region characteristics. Low temperature photoluminescence spectra (PL) were measured at 15 K using at various excitation powers in the range 80-160 mW. PL spectra show the presence of an exciton-related band emission around 0.642 eV and a band at 0.633 eV which we have related to radiative emission involving Zn-acceptors. Using the photoacoustic technique we measured the interface recombination velocities related to the interface crystalline quality, showing that the layer-substrate interface quality degrades as the Zn concentration in the layers increases.     

Surface defect states of CdTexS1 − x quantum dots

Properties of surface defect states of CdTe_xS_1 − x quantum dots with an average diameter of 7 nm are investigated experimentally. The stoichiometric ratio is found to be for by use of the energy dispersive analysis of x-ray. The photoluminescence spectrum, the photoluminescence excitation spectrum, and the surface passivation are adopted to characterize the properties of surface defect states. The energy levels of surface defect states of CdTe_xS_1 − x quantum dots are also determined.     

Manipulating Ge quantum dots on ultrathin SixGe1−x oxide films using scanning tunneling microscope tips

Germanium quantum dots (QDs) were extracted from ultrathin Si_xGe_1−x oxide films using scanning tunneling microscope (STM) tips. The extraction was most efficiently performed at a positive sample bias voltage of +5.0 V. The tunneling current dependence of the extraction efficiency was explained by the electric field evaporation transfer mechanism for positive Ge ions from QDs to STM tips. Ge QDs (∼7 nm) were formed and isolated spatially by extracting the surrounding Ge QDs with an ultrahigh density of >10¹² cm⁻². Scanning tunneling spectroscopy of the spatially-isolated QDs revealed that QDs with an ultrahigh density are electrically-isolated from the adjacent dots.     

N incorporation and electronic structure in N-doped TiO2(1 1 0) rutile

We describe the growth and properties of well-defined epitaxial TiO_2−xN_x rutile for the first time. A mixed beam of atomic N and O radicals was prepared in an electron cyclotron resonance plasma source and Ti was supplied from a high-temperature effusion cell or an electron beam evaporator, depending on the required flux. A very high degree of structural quality is generally observed for films grown under optimized anion-rich conditions. N substitutes for O in the lattice, but only at the ∼1 at.% level, and is present as N³⁻. Epitaxial growth of TiO₂ and TiO_2−xN_x rutile prepared under anion-rich conditions is accompanied by Ti indiffusion, leading to interstitial Ti (Ti_i), which is a shallow donor in rutile. Our data strongly suggest that Ti_i donor electrons compensate holes associated with substitutional N²⁻ (i.e., Ti(III) + N²⁻ → Ti(IV) + N³⁻), leading to highly resistive or weakly n-type, but not p-type material. Ti 2p core-level line shape analysis reveals hybridization of N and Ti, as expected for substitutional N. Ti-N hybridized states fall in the gap just above the VBM, and extend the optical absorption well into the visible.     

Structural studies of evaporated CoxCr1−x/Si (1 0 0) and CoxCr1−x/glass thin films

Series of Co_xCr_1−x thin films have been evaporated under vacuum onto Si (1 0 0) and glass substrates. Chemical composition and interface properties have been studied by modelling Rutherford backscattering spectra (RBS) using SIMNRA programme. Thickness ranges from 17 to 220 nm, and x from 0.80 to 0.88. Simulation of the energy spectra shows an interdiffusion profile in the thickest films, but no diffusion is seen in thinner ones. Microscopic characterizations of the films are done with X-ray diffraction (XRD) measurements. All the samples are polycrystalline, with an hcp structure and show a 〈0 0 0 1〉 preferred orientation. Atomic force microscopies (AFM) reveal very smooth film surfaces.     

Effect of Cr on the magnetic properties of evaporated CoxCr1−x/Si(1 0 0) and CoxCr1−x/glass thin films

Series of Co_xCr_1−x thin films have been evaporated under vacuum onto Si(1 0 0) and glass substrates. Thickness ranges from 17 to 220 nm, and x from 0.80 to 0.88. Alternating gradient field magnetometer (AGFM) measurements provided saturation magnetization values ranging from 220 to 1200 emu/cm³. Values of squareness exceeding 0.8 have been measured. Coercive field may reach values up to 700 Oe, depending on the percentage of chromium, as well as the substrate nature and the direction of the applied magnetic field. The saturation magnetization value decreases as the Cr content increases. In order to study their dynamical magnetic properties, Brillouin Light Scattering (BLS) measurements have been performed on these samples. Stiffness constant value and anisotropy magnetic field were adjusted to fit the experimental BLS spectra. These results are analyzed and correlated.     

The interaction of ultrathin Cr layers with SrTiO3(1 0 0)

The growth of ultrathin Cr overlayers on SrTiO₃(1 0 0) was studied by X-ray photoelectron spectroscopy, scanning tunneling microscopy, and transmission electron microscopy. It is found that the metal-oxide interaction strongly depends on the deposition temperature. At T < 600 °C, the interfaces are atomically sharp. Local charge transfer happens between the interfacial Cr adatoms and the topmost substrate atoms. The binding energy shift of Cr 2p is dominated by the final state effects. In case of T > 600 °C, bulk diffusion of oxygen in the oxide substrate may occur, which results in a redox reaction and the formation of new reaction phases at the interfaces. In this temperature regime, the binding energy shift of Cr 2p is mainly controlled by the initial state effects.     

Hydroxylated α-Al2O3 (0 0 0 1) surfaces and metal/α-Al2O3 (0 0 0 1) interfaces

X-ray photoelectron spectroscopy was applied to study the hydroxylation of α-Al₂O₃ (0 0 0 1) surfaces and the stability of surface OH groups. The evolution of interfacial chemistry of the α-Al₂O₃ (0 0 0 1) surfaces and metal/α-Al₂O₃ (0 0 0 1) interfaces are well illustrated via modifications of the surface O1s spectra. Clean hydroxylated surfaces are obtained through water- and oxygen plasma treatment at room temperature. The surface OH groups of the hydroxylated surface are very sensitive to electron beam illumination, Ar⁺ sputtering, UHV heating, and adsorption of reactive metals. The transformation of a hydroxylated surface to an Al-terminated surface occurs by high temperature annealing or Al deposition.     

Spin polarization at the NiMnSb/MgO(1 0 0) interface

The half-metallic NiMnSb alloy was tested as a possible fully polarized electrode in a magnetic tunnel junction. For this purpose, epitaxial NiMnSb(0 0 1) and NiMnSb/MgO(0 0 1) systems were grown by molecular beam epitaxy. Spin-polarized photoemission experiments using the synchrotron radiation at the ESRF were performed on both the uncovered NiMnSb(0 0 1) surface and on the NiMnSb/MgO(0 0 1) interface. Starting from a NiMnSb(0 0 1) uncovered surface presenting at room temperature a 40% polarization at the Fermi level measured in the whole Brillouin zone, this polarization was observed to dramatically decrease when a MgO(0 0 1) epitaxial barrier was grown on top of it. On the other hand, the X-ray absorption experiments clearly show some oxidization of Mn after growing the MgO layer. This behavior was confirmed by testing the electronic and chemical properties of a unique atomic plane of Mn grown on a Fe buffer layer, before and after growing a MgO layer on top of it.