We use a recently developed self-consistent GW approximation to present first principles calculations of the conduction band spin splitting in GaAs under [110] strain. The spin orbit interaction is taken into account as a perturbation to the scalar relativistic hamiltonian. These are the first calculations of conduction band spin splitting under deformation based on a quasiparticle approach; and because the self-consistent GW scheme accurately reproduces the relevant band parameters, it is expected to be a reliable predictor of spin splittings. We also discuss the spin relaxation time under [110] strain and show that it exhibits an in-plane anisotropy, which can be exploited to obtain the magnitude and sign of the conduction band spin splitting experimentally.
We review magneto-optical and magneto-transport effects in GaAs/GaAlAs heterostructures doped in GaAlAs barriers with donors, providing two-dimensional electron gas in GaAs quantum wells, and additionally doped with smaller amounts of acceptors (mostly Be atoms) in the vicinity of 2DEG. One may also deal with residual acceptors (mostly C atoms). The behavior of such systems in the presence of a magnetic field differs appreciably from those doped in the vicinity of 2DEG with donors.
We have calculated the conduction-to-conduction and valence-to-valence absorption spectrum of bound states in (In,Ga)As/GaAs quantum dots charged with up to three electrons or holes. Several features emerge: (i) In pure (non-alloyed) InAs/GaAs dots, the 1S-1P_1 and 1S-1P_2 conduction intraband transitions are fully in-plane polarized along [1\bar 10] and [110], respectively, while valence transitions are weakly polarized because the hole P states do not show any in-plane preferential orientation. (ii) In alloyed In_{0.6}Ga_{0.4}As/GaAs dots the [110] and [1\bar 10] polarization of the correspo…
We present a comparison of the band alignment of the Ga1-xInxNyAs1-y active layers on GaAs and InP substrates in the case of conventionally strained and strained-compensated quantum wells. Our calculated results present that the band alignment of the tensiley strained Ga1-xInxNyAs1-y quantum wells on InP substrates is better than than that of the compressively strained Ga1-xInxNyAs1-y quantum wells on GaAs substrates and both substrates provide deeper conduction wells. Therefore, tensiley strained Ga1-xInxNyAs1-y quantum wells with In concentrations of x<=0.53 on InP substrates can be used saf…
The results of measurements and numerical simulation of charge carrier distribution and energy states in strained quantum wells In_xGa_{1-x}As/GaAs (0.06 < x < 0.29) by C-V-profiling are presented. Precise values of conduction band offsets for these pseudomorphic QWs have been obtained by means of self-consistent solution of Schroedinger and Poisson equations and following fitting to experimental data. For the conduction band offsets in strained In_xGa_{1-x}As/GaAs - QWs the expression DE_C(x) = 0.814x - 0.21x^2 has been obtained.
Precise lattice parameter measurements in single crystals are achievable, in principle, by X-ray multiple diffraction (MD) experiments. Tiny sample misalignments can compromise systematic usage of MD in studies where accuracy is an important issue. In this work, theoretical treatment and experimental methods for correcting residual misalignment errors are presented and applied to probe the induced strain of buried InAs quantum dots on GaAs (001) substrates.
We propose two possible quantum microscopic mechanisms for intervalley transitions just at the Franck-Condon state in GaAs. The first is the simultaneously combined coulombic elastic transitions of two electrons,from the originally photo-excited $Γ$ valley to the mutually opposite L and -L valleys in the Brillouin zone. The second is the "elastic" scattering of an electron from the $Γ$ valley to the L one by the frozen phonon, which is not newly created in the excited state, but already exists, being inherited from the starting ground state, according to the Franck-Condon principle of the phot…
Moire based strain analysis in wurtzite GaAs -- rock-salt (Pb,Sn)Te core-shell nanowires grown by molecular beam epitaxy
Institute of Physics, Polish Academy of Sciences（波兰科学院物理研究所）；Faculty of Physics, University of Warsaw（华沙大学物理学院）；Ensemble3 Centre of Excellence（Ensemble3卓越中心）；International Research Center MagTop, Institute of Physics, Polish Academy of Sciences（波兰科学院物理研究所国际研究中心MagTop）
The GaAs/GaAsN interface band offset is calculated from first principles. The electrostatic potential at the core regions of the atoms is used to estimate the interface potential and align the band structures obtained from respective bulk calculations. First, it is shown that the present method performs well on the well-known conventional/conventional AlAs/GaAs (001) superlattice system. Then the method is applied to a more challenging nonconventional/conventional GaAsN/GaAs (001) system, and consequently type I band lineup and valence-band offset of about 35 meV is obtained for nitrogen conce…
The local electronic structure of N atoms in a diluted GaAs1-xNx (x=3%) alloy, in view of applications in optoelectronics, is determined for the first time using soft-X-ray absorption (SXA) and emission (SXE). Deviations from crystalline GaN, in particular in the conduction band, are dramatic. Employing the orbital character and elemental specificity of the SXE/SXA spectroscopies, we identify a charge transfer from the N atoms at the valence band maximum, reducing the overlap with the wavefunction in conduction band minimum, as the main factor limiting the optical efficiency of GaAs1-xNx alloy…
The properties of a semiconductor get drastically modified when the crystal point group symmetry is broken under an arbitrary strain. We investigate the family of semiconductors consisting of GaAs, GaSb, InAs and InSb, considering their electronic band structure and deformation potentials subject to various strains based on hybrid density functional theory. Guided by these first-principles results, we develop strain-compliant local pseudopotentials for use in the empirical pseudopotential method (EPM). We demonstrate that the newly proposed empirical pseudopotentials perform well close to band…
We analyze the shape and position of heteroepitaxial InAs islands on the top face of cylindrical GaAs(111)A nanopillars experimentally and theoretically. Catalyst-free molecular beam epitaxial growth of InAs at low temperatures on GaAs nanopillars results in InAs islands with diameters < 30 nm exhibiting predominantly rounded triangular in-plane shapes. The islands show a tendency to grow at positions displaced from the center towards the pillar edge. Atomistic molecular statics simulations evidence that triangular-prismatic islands centered to the pillar axis with diameters smaller than that …
We present an atomistic investigation of the influence of strain on the electronic properties of quantum dots (QD's) within the empirical $s p^{3} s^{*}$ tight-binding (ETB) model with interactions up to 2nd nearest neighbors and spin-orbit coupling. Results for the model system of capped pyramid-shaped InAs QD's in GaAs, with supercells containing $10^{5}$ atoms are presented and compared with previous empirical pseudopotential results. The good agreement shows that ETB is a reliable alternative for an atomistic treatment. The strain is incorporated through the atomistic valence force field m…
Coherent x-ray diffractive imaging is extended to high resolution strain analysis in crystalline nanostructured devices. The application potential is demonstrated by determining the strain distribution in (Ga,Mn)As/GaAs nanowires. By separating diffraction signals in reciprocal spaces, individual parts of the device could be reconstructed independently by our inversion procedure. We demonstrate the method to be effective for material specific reconstruction of strain distribution in highly integrated devices.
The contribution of the fundamental gap E_ as well as those of the E_ + Delta(so) and E+ transitions to the dielectric function of GaAs1-xNx alloys near the band edge were determined from variable-angle spectroscopic ellipsometry and modulated photoreflectance spectroscopy analyses. The oscillator strength of the E_ optical transition increases weakly with nitrogen incorporation. The two experimental techniques independently reveal that not only the oscillator strength of the E+ transition but also that of E_ + Delta(so) become larger compared to that of the fundamental gap as the N content in…
Electronic structures of wurtzite GaAs nanowires in the [0001] direction were studied using first-principles calculations. It was found that the band gap of GaAs nanowires experience a direct-to-indirect transition when the diameter of the nanowires is smaller than ~28 Å. For those thin GaAs nanowires with an indirect band gap, it was found that the gap can be tuned to be direct if a moderate external uniaxial strain is applied. Both tensile and compressive strain can trigger the indirect-to-direct gap transition. The critical strains for the gap-transition are determined by the energy crossov…
Strain engineering provides an effective way of tailoring the electronic and optoelectronic properties of semiconductor nanomaterials and nanodevices, giving rise to novel functionalities. Here, we present direct experimental evidence of strain-induced modifications of hole mobility in individual GaAs nanowires, using in situ transmission electron microscopy (TEM). The conductivity of the nanowires varied with applied uniaxial tensile stress, showing an initial decrease of ~5-20% up to a stress of 1~ 2 GPa, subsequently increasing up to the elastic limit of the nanowires. This is attributed to…
We derive analytically the change of exciton fine structure splitting (FSS) under the external stresses in the self-assembled InAs/GaAs quantum dots using the Bir-Pikus model. We find that the FSS change is mainly due to the strain induced valence bands mixing and valence-conduction band coupling. The exciton polarization angle under strain are determined by the argument of the electron-hole off-diagonal exchange integrals. The theory agrees well with the empirical pseudopotential calculations.
Epitaxial growth of III-V semiconductors on Si is a promising route for silicon photonics. Threading dislocations and the residual thermal stress generated during growth are expected to affect the thermal conductivity of the III-V semiconductors, which is crucial for efficient heat dissipation from photonic devices built on this platform. In this work, we combine a non-contact laser-induced transient thermal grating technique with ab initio phonon simulations to investigate the in-plane thermal transport of epitaxial GaAs-based buffer layers on Si, employed in the fabrication of III-V quantum …
Geometric phase analysis has been applied to high resolution aberration corrected (scanning) transmission electron microscopy images of InAs/GaAs quantum dot (QD) materials. We show quantitatively how the lattice mismatch induced strain varies on the atomic scale and tetragonally distorts the lattice in a wide region that extends several nanometers into the GaAs spacer layer below and above the QDs. Finally, we show how V-shaped dislocations originating at the QD/GaAs interface efficiently remove most of the lattice mismatch induced tetragonal distortions in and around the QD.
The longest spin lifetimes in bulk n-GaAs exceed 100 ns for doping concentrations near the metal-insulator transition (J.M. Kikkawa, D.D. Awschalom, Phys. Rev. Lett. 80, 4313 (1998)). The respective electronic states have yet not been identified. We therefore investigate the energy dependence of spin lifetimes in n-GaAs by time-resolved Kerr rotation. Spin lifetimes vary by three orders of magnitude as a function of energy when occupying donor and conduction band states. The longest spin lifetimes (>100 ns) are assigned to delocalized donor band states, while conduction band states exhibit sho…
The effect of uniaxial tensile strain on spin coherence in n-type GaAs epilayers is probed using time-resolved Kerr rotation, photoluminescence, and optically-detected nuclear magnetic resonance spectroscopies. The bandgap, electron spin lifetime, electron g-factor, and nuclear quadrupole splitting are simultaneously imaged over millimeter scale areas of the epilayers for continuously varying values of strain. All-optical nuclear magnetic resonance techniques allow access to the strain induced nuclear quadrupolar resonance splitting in field regimes not easily addressable using conventional op…
We show that the bulk-inversion-asymmetry-type strain-induced spin-orbit coupling can be used to effectively modify the Dresselhaus spin splitting in (001) GaAs quantum wells with small well width and the resulting spin lifetime can be increased by two orders of magnitude to nanoseconds under right conditions. The efficiency of this strain manipulation of the spin dephasing time under different conditions such as temperature, electric field and electron density is investigated in detail.
Using the mechano-optical stress sensor technique, we observe a counter-intuitive reduction of the compressive stress when InAs is deposited on GaAs (001) during growth of quantum posts. Through modelling of the strain fields, we find that such anomalous behaviour can be related to the strain-driven detachment of In atoms from the crystal and their surface diffusion towards the self-assembled nanostructures.
We present a first-principles analysis of the strain renormalization of the cation diffusivity on the GaAs(001) surface. For the example of In/GaAs(001)-c(4x4) it is shown that the binding of In is increased when the substrate lattice is expanded. The diffusion barrier ΔE(e) has a non-monotonic strain dependence with a maximum at compressive strain values (e < 0), while being a decreasing function for any tensile strain (e > 0) studied. We discuss the consequences of spatial variations of both the binding energy and the diffusion barrier of an adatom caused by the strain field around a heteroe…
The electronic structure of pyramidal shaped InAs/GaAs quantum dots is calculated using an eight-band strain dependent $\bf k\cdot p$ Hamiltonian. The influence of strain on band energies and the conduction-band effective mass are examined. Single particle bound-state energies and exciton binding energies are computed as functions of island size. The eight-band results are compared with those for one, four and six bands, and with results from a one-band approximation in which m(r) is determined by the local value of the strain. The eight-band model predicts a lower ground state energy and a la…
The great possibilities for strain engineering in core/shell nanowires have been explored as an alternative route to tailor the properties of binary III-V semiconductors without changing their chemical composition. In particular, we demonstrate that the GaAs core in GaAs/In(x)Ga(1-x)As or GaAs/In(x)Al(1-x)As core/shell nanowires can sustain unusually large misfit strains that would have been impossible in conventional thin-film heterostructures. The built-in strain in the core can be regulated via the composition and the thickness of the shell. Thick enough shells become almost strain-free, wh…
Understanding and control of thermal transport in solids at nanoscale is crucial to engineer and to enhance properties of a new generation of optoelectronic, thermoelectric, and photonic devices. In this regard, semiconductor superlattice structures provide a unique platform to study phenomena associated with phonon propagations in solids such as heat conduction. Transient X-ray diffraction can directly probe atomic motions and therefore is among the rare techniques sensitive to phonon dynamics in a condensed matter. Here, we study optically induced transient heat conduction in GaAs/AlAs super…
A theory for conduction electron scattering by inhomogeneous crystal lattice strains is developed, based on the differential geometric treatment of deformations in solids. The resulting fully covariant Schrödinger equation shows that the electrons can be described as moving in a non-Euclidean background space in the continuum limit of the deformed lattice. Unlike previous work, the formalism is applicable to cases involving purely elastic strains as well as discrete and continuous distributions of dislocations --- in the latter two cases it clearly demarcates the effects of the dislocation str…
We propose type-II GaAsSb/GaAsN superlattices (SLs) lattice-matched to GaAs as a novel material for the 1 eV sub-cells present in highly efficient GaAs/Ge-based multi-junction solar cells. We demonstrate that, among other benefits, the spatial separation of Sb and N allows a better control over composition and lattice matching, avoiding the growth problems related to the concomitant presence of both elements in GaAsSbN layers. This approach not only reduces clustering and improves crystal quality and interface abruptness, but also allows for additional control of the effective bandgap in the 1…
Free standing InP quantum dots have previously been theoretically and experimentally shown to have a direct band gap across a large range of experimentally accessible sizes. We demonstrate that when these dots are embedded coherently within a GaP barrier material, the effects of quantum confinement in conjunction with coherent strain suggest there will be a critical diameter of dot (60A), above which the dot is direct, type I, and below which it is indirect, type II. However, the strain in the system acts to produce another conduction state with an even lower energy, in which electrons are loc…
We demonstrate how first-principles calculations using density-functional theory (DFT) can be applied to gain insight into the molecular processes that rule the physics of materials processing. Specifically, we study the molecular beam epitaxy (MBE) of arsenic compound semiconductors. For homoepitaxy of GaAs on GaAs(001), a growth model is presented that builds on results of DFT calculations for molecular processes on the beta2-reconstructed GaAs(001) surface, including adsorption, desorption, surface diffusion and nucleation. Kinetic Monte Carlo simulations on the basis of the calculated ener…
A five-level {\Pp} model of the band structure for GaAs-type semiconductors is used to describe the spin $g^*$-factor and the cyclotron mass $m^*_c$ of conduction electrons in GaAs/Ga$_{1-x}$Al$_x$As quantum wells in an external magnetic field parallel to the growth direction. It is demonstrated that the previous theory of the $g^*$-factor in heterostructures is inadequate. Our approach is based on an iteration procedure of solving 14 coupled differential {\Pp} equations. The applicability of the iteration procedure is verified. The final eigenenergy problem for the conduction subbands is redu…
We observe a systematic red shift of the band-edge of passivated GaAs/Al0.35Ga0.65As core-shell nanowires with increasing shell thickness up to 100 nm. The shift is detected both in emission and absorption experiments, reaching values up to 14 meV for the thickest shell nanowires. Part of this red shift is accounted for by the small tensile strain imposed to the GaAs core by the AlGaAs shell, in line with theoretical calculations. An additional contribution to this red shift arises from axial piezoelectric fields which develop inside the nanowire core due to Al fluctuations in the shell.
We explore the Bi-surfactant-directed self-assembly and structure of InAs quantum dots grown on GaAs(110) by molecular beam epitaxy. The addition of a Bi flux during InAs deposition changes the InAs growth mode from two-dimensional (2D) Frank-van der Merwe to Stranski-Krastanov, resulting in the formation of three-dimensional (3D) InAs islands on the surface. Furthermore, exposing static InAs 2D layers to Bi induces a rearrangement of the strained layer into 3D islands. We explore the effect of varying the InAs thickness and Bi flux for these two growth approaches, observing a critical thickne…
We present an atomistic study of the strain field, the one-particle electronic spectrum and the oscillator strength of the fundamental optical transition in chemically disordered In$_{x}$Ga$_{1-x}$As pyramidal quantum dots (QDs). Interdiffusion across the interfaces of an originally ``pure'' InAs dot buried in a GaAs matrix is simulated through a simple model, leading to atomic configurations where the abrupt hetero-interfaces are replaced by a spatially inhomogeneous composition profile $x$. Structural relaxation and the strain field calculations are performed through the Keating valence forc…
To better understand and enhance the thermoelectric efficiency of a new class of Mg-based thermoelectrics, using hybrid density-functional theory, we study the microscopic origins of valley degeneracies in the conduction band of the solid solution Mg2Si1-xSnx and its constituent components - namely, Mg2Si and Mg2Sn. In the solid solution of Mg2Si1-xSnx, the Mg sublattice and Si/Sn sublattice are expected to undergo either tensile or compressive strain. Interestingly, both tensile strain of Mg2Si and compressive strain of Mg2Sn enhance the conduction band valley degeneracy or band convergence, …
We report a comprehensive study of stochastic electron spin fluctuations -- spin noise -- in lightly doped ($n$-type) bulk GaAs, which are measured using sensitive optical magnetometry based on off-resonant Faraday rotation. Frequency spectra of electron spin noise are studied as a function of electron density, magnetic field, temperature, probe laser wavelength and intensity, and interaction volume. Electron spin lifetimes $τ_s$ are inferred from the width of the spin noise spectra, and are compared with direct measurements of $τ_s$ using conventional Hanle effect methods. Both methods reveal…
We show that a diatomic dot molecule made of two identical, vertically stacked, strained InAs/GaAs self-assembled dots exhibits an asymmetry in its single-particle and may-particle wavefunctions. The single-particle wave function is asymmetric due to the inhomogeneous strain, while the asymmetry of the many-particle wavefunctions is caused by the correlation induced localization: the lowest singlet $^1Σ_g$ and triplet $^3Σ$ states show that the two electrons are each localized on different dots within the molecule, for the next singlet states $^1Σ_u$ both electrons are localized on the same (b…
We present ab initio quasiparticle self-energy calculations in crystalline GaAs for cases of intense electronic excitation (~ 10% of valence electrons excited into conduction band), relevant for high-intensity ultra-short pulsed laser experiments. Calculations are performed using an out-of-equilibrium generalization of the GW approximation based on the Keldysh Green's function approach. Our results indicate that while the band gap is a sensitive function of the amount of excitation, it is not possible to induce complete band gap closure in this system by purely electronic means.
Time-resolved Kerr rotation spectroscopy as a function of pump-probe distance, voltage and magnetic field is used to measure the momentum-dependent spin splitting energies in GaAs and InGaAs epilayers. The strain of the samples can be reproducibly controlled in the cryostat using three- and four-point bending applied with a mechanical vise. We find that the magnitude of the spin splitting increases linearly with applied tension and voltage. A strain-drift diffusion model is used to relate the magnitude of the measured spin-orbit splitting to the amount of strain in the sample.
We report current-induced spin torques in epitaxial NiMnSb films on a commercially available epi-ready GaAs substrate. The NiMnSb was grown by co-sputtering from three targets using optimised parameter. The films were processed into micro-scale bars to perform current-induced spin-torque measurements. Magnetic dynamics were excited by microwave currents and electric voltages along the bars were measured to analyse the symmetry of the current-induced torques. We found that the extracted symmetry of the spin torques matches those expected from spin-orbit interaction in a tetragonally distorted h…
It is known in the literature that InGaP alloy synthesized within a certain range of growth temperature (520 - 720 degree Centrigrade) shows Cu-Pt crystal ordering. This ordering reduces the band gap energy . It was predicted that the ordering induced modification of energy levels of InGaP lowers its conduction band edge, which could change a type I band alignment at a GaAs/InGaP heterojunction to type II . Here we report the first observation of this ordering related type I/II transition for a GaAs/InGaP heterojunction by C-V profiling experiments done at room temperature .
Using a single-particle atomistic pseudopotential method followed by a many-particle configuration interaction method, we investigate the geometry, electronic structure and optical transitions of a self-assembled InAs/GaAs quantum ring (QR), changing its shape continously from a lens-shaped quantum dot (QD) to a nearly one dimensional ring. We find that the biaxial strain in the ring is strongly asymmetric in the plane perpendicular to the QR growth direction, leading to giant optical anisotropy.
Boron arsenide, the typically-ignored member of the III-V arsenide series BAs-AlAs-GaAs-InAs is found to resemble silicon electronically: its Gamma conduction band minimum is p-like (Gamma_15), not s-like (Gamma_1c), it has an X_1c-like indirect band gap, and its bond charge is distributed almost equally on the two atoms in the unit cell, exhibiting nearly perfect covalency. The reasons for these are tracked down to the anomalously low atomic p orbital energy in the boron and to the unusually strong s-s repulsion in BAs relative to most other III-V compounds. We find unexpected valence band of…
The spin relaxation time of electrons in GaAs and GaN are determined with a model that includes momentum scattering by phonons and ionized impurities, and spin scattering by the Elliot-Yafet, D'yakonov-Perel, and Bir-Aronov-Pikus mechanisms. Accurate bands generated using a long-range tight-binding Hamiltonian obtained from empirical pseudopotentials are used. The inferred temperature-dependence of the spin relaxation lifetime agrees well with measured values in GaAs. We further show that the spin lifetimes decrease rapidly with injected electrons energy and reach a local maximum at the longit…
We have investigated ab initio the existence of localized states and resonances in abrupt GaAs/Si/GaAs (110)- and (100)-oriented heterostructures incorporating 1 or 2 monolayers (MLs) of Si, as well as in the fully developed Si/GaAs (110) heterojunction. In (100)-oriented structures, we find both valence- and conduction-band related near-band edge states localized at the Si/GaAs interface. In the (110) systems, instead, interface states occur deeper in the valence band; the highest valence-related resonances being about 1 eV below the GaAs valence-band maximum. Using their characteristic bondi…
Lonsdaleite germanium has a direct band gap, but it is not an efficient light emitter due to the vanishing oscillator strength of electronic transitions at the fundamental gap. Transitions involving the second lowest conduction band are instead at least three orders of magnitude stronger. The inversion of the two lowest conduction bands would therefore make hexagonal germanium ideal for optoelectronic applications. In this work, we investigate the possibility to achieve this band inversion by applying strain. To this end we perform ab initio calculations of the electronic band structure and op…
Structural and magnetic properties of GaAs thin films with embedded MnAs nanoclusters were investigated as function of the annealing temperature and layers composition. The presence of two kinds of nanoclusters with different dimensions and structure were detected. The fraction of Mn atoms in each kind of cluster was estimated from the extended X-ray absorption fine structure analysis. This analysis ruled out the possibility of the existence of nanoclusters containing a hypothetic MnAs cubic compound - only (Mn,Ga)As cubic clusters were detected. Change of the layer strain from the compressive…
Using an atomistic first principles approach, we investigate the band offset of the GaAs/AlxGa1-xAs heterojunctions for the entire range of the Al doping concentration 0<x<=1. We apply the coherent potential approach to handle the configuration average of Al doping and a recently proposed semi-local exchange potential to accurately determine the band gaps of the materials. The calculated band structures of the GaAs, AlAs crystals and band gaps of the GaAs/AlxGa1-xAs alloys, are in very good agreement with the experimental results. We predict that valence band offset of the GaAs/AlxGa1-xAs hete…
We report the fabrication of self-assembled, strain-free GaAs/Al$_{0.27}$Ga$_{0.73}$As quantum dot pairs which are laterally aligned in the growth plane, utilizing the droplet epitaxy technique and the anisotropic surface potentials of the GaAs (100) surface for the migration of Ga adatoms. Photoluminescence spectra from a single quantum dot pair, consisting of a doublet, have been observed. Finite element energy level calculations of a model quantum dot pair are also presented.
Ultra-precise lattice parameter measurements in single crystals are achievable, in principle, by X-ray multiple diffraction (XMD) experiments. Tiny sample misalignments have hindered the systematic usage of XMD in studies where accuracy is an important issue. In this work, theoretical basement and methods for correcting general misalignment errors are presented. As a practical demonstration, the induced strain of buried InAs quantum dots grown on GaAs (001) substrates is determined. Such a demonstration confirms the possibility to investigate epitaxial nanostructures via the strain field that …
The alpha-beta magneto-structural phase transition in MnAs/GaAs(111) epilayers is investigated by elastic neutron scattering. The in-plane parameter of MnAs remains almost constant with temperature from 100 K to 420 K, following the thermal evolution of the GaAs substrate. This induces a temperature dependent biaxial strain that is responsible for an alpha-beta phase coexistence and, more important, for the stabilization of the ferromagnetic alpha-phase at higher temperature than in bulk. We explain the premature appearance of the beta-phase at 275 K and the persistence of the ferromagnetic al…
Spin relaxation time of conduction electrons through the Elliot-Yafet, D'yakonov-Perel and Bir-Aronov-Pikus mechanisms is calculated theoretically for bulk GaAs, GaSb, InAs and InSb of both $n$- and $p$-type. Relative importance of each spin relaxation mechanism is compared and the diagrams showing the dominant mechanism are constructed as a function of temperature and impurity concentrations. Our approach is based upon theoretical calculation of the momentum relaxation rate and allows understanding of the interplay between various factors affecting the spin relaxation over a broad range of te…
Using 3D k.p calculation including strain and piezoelectricity we predict variation of electronic and optical properties of InAs/GaAs quantum dots (QDs) with the substrate orientation. The QD transition energies are obtained for high index substrates [11k], where k = 1,2,3 and are compared with [001]. We find that the QD size in the growth direction determines the degree of influence of the substrate orientation: the flatter the dots, the larger the difference from the reference [001] case.
