Gallium arsenide nanowires were synthesized by gallium-assisted molecular beam epitaxy. By varying the growth time, nanowires with diameters ranging from 30 to 160 nm were obtained. Raman spectra of the nanowires ensembles were measured. The small line width of the optical phonon modes agree with an excellent crystalline quality. A surface phonon mode was also revealed, as a shoulder at lower frequencies of the longitudinal optical mode. In agreement with the theory, the surface mode shifts to lower wave numbers when the diameter of the nanowires is decreased or the environment dielectric constant increased.
Influence of Cd and Se atoms on the quantum efficiency of photon emission through EL2 defects in gallium arsenide single crystals has been investigated. A comparative technique of impurity diffusion in vacuum and arsenic atmospheres has been used. The change character and extent of the photon emission quantum efficiency have been established to be defined by vacancy structure of crystal that is most likely caused by formation of EL2-dopant complexes.
We present a first-principles calculation of the electronic properties of crystalline silicon and gallium arsenide in a uniform electric field. Polarized Wannier-like functions which are confined in a finite region are obtained by minimizing a total-energy functional which depends explicitly on the macroscopic polarization of the solid. The polarization charge density and the electronic dielectric constant are computed via finite differences. The results coincide with those of the linear response approach in the limit of vanishing electric field and infinite localization region.
Liquid phase epitaxy of gallium arsenide (LPE GaAs) has been investigated intensively from the late 1960's to the present and has now a special place in the manufacture of wide band, compound semiconductor radiation detectors. Although this particular process appears to have gained prominence in the last three decades, it is interesting to note that its origins reach back to 1836 when Frankenheim made his first observations. A brief review is presented from a semiconductor applications point of view on how this subject developed. This is followed by a report on LPE GaAs growth at the Australia…
Ga interstitials in GaAs ($I_{Ga}$) are studied using the local-orbital {ab-initio} code SIESTA in a supercell of {216+1} atoms. Starting from eight different initial configurations, we find five metastable structures: the two tetrahedral sites in addition to the 110-split$\mathrm{_{[Ga-As]}}$, 111-split$\mathrm{_{[Ga-As]}}$, and 100-split$\mathrm{_{[Ga-Ga]}}$. Studying the competition between various configuration and charges of $I_{Ga}$, we find that predominant gallium interstitials in GaAs are charged +1, neutral or at most -1 depending on doping conditions and prefer to occupy the tetrahe…
We investigate the electronic properties of the (110) cross-sectional surface of Si-doped GaAs using first-principles techniques. We focus on doping configurations with an equal concentration of Si impurities in cationic and anionic sites, such as occurring in a self-compensating doping regime. In particular we study a bilayer of Si atoms uniformly distributed over two consecutive (001) atomic layers. The simulated cross-sectional scanning tunneling microscopy images show a bright signal at negative bias, which is strongly attenuated when the bias is reversed. This scenario is consistent with …
The dependences of the maximum and the half-width of near band-edge photoluminescence of semi-insulating undoped GaAs crystals at 77K on the concentration of background acceptor impurities and the level of excitation in the range from 3x1021 to 6x1022 quantum/(cm2/s) are investigated. The observed dependences are explained by formation of the density tails of states as a result of fluctuations of impurity concentration and participation of localized states of the donor impurity band in radiative transitions. Reduction of many-particle interaction at increasing of N can be connected with increa…
We perform high resolution X-ray diffraction on GaMnAs mixed crystals as well as on GaMnAs/GaAs and GaAs/MnAs superlattices for samples grown by low temperature molecular beam epitaxy under different growth conditions. Although all samples are of high crystalline quality and show narrow rocking curve widths and pronounced finite thickness fringes, the lattice constant variation with increasing manganese concentration depends strongly on the growth conditions: For samples grown at substrate temperatures of 220 and 270 degrees C the extrapolated relaxed lattice constant of Zincblende MnAs is 0.5…
We report here a reexamination of the static properties of vacancies in GaAs by means of first-principles density-functional calculations using localized basis sets. Our calculated formation energies yields results that are in good agreement with recent experimental and {\it ab-initio} calculation and provide a complete description of the relaxation geometry and energetic for various charge state of vacancies from both sublattices. Gallium vacancies are stable in the 0, -, -2, -3 charge state, but V_Ga^-3 remains the dominant charge state for intrinsic and n-type GaAs, confirming results from …
The dilute magnetic semiconductors have promise in spin-based electronics applications due to their potential for ferromagnetic order at room temperature, and various unique switching and spin-dependent conductivity properties. However, the precise mechanism by which the transition-metal doping produces ferromagnetism has been controversial. Here we have studied a dilute magnetic semiconductor (5% manganese-doped gallium arsenide) with Bragg-reflection standing-wave hard X-ray angle-resolved photoemission spectroscopy, and resolved its electronic structure into element- and momentum- resolved …
We report accurate, calculated electronic, transport, and bulk properties of zinc blende gallium arsenide (GaAs). Our ab-initio, non-relativistic, self-consistent calculations employed a local density approximation (LDA) potential and the linear combination of atomic orbital (LCAO) formalism. We strictly followed the Bagayoko, Zhao, and William (BZW) method as enhanced by Ekuma and Franklin (BZW-EF). Our calculated, direct band gap of 1.429 eV, at an experimental lattice constant of 5.65325 Å, is in excellent agreement with the experimental values. The calculated, total density of states data …
We present a self-consistent, real-space calculation of the Wannier functions of Si and GaAs within density functional theory. We minimize the total energy functional with respect to orbitals which behave as Wannier functions under crystal translations and, at the minimum, are orthogonal. The Wannier functions are used to calculate the total energy, lattice constant, bulk modulus, and the frequency of the zone-center TO phonon of the two semiconductors with the accuracy required nowadays in ab-initio calculations. Furthermore, the centers of the Wannier functions are used to compute the macros…
Whispering Gallery modes in bulk cylindrical Gallium Arsenide and Gallium Phosphide samples have been examined both in darkness and under white light at cryogenics temperatures < 50 K. In both cases persistent photoconductivity was observed after initially exposing semiconductors to white light from a halogen lamp. Photoconductance decay time constants for GaP and GaAs were determined to be 0.900 +/- 0.081 ns and 1.098 +/- 0.063 ns, respectively, using this method.
We present a detailed study of the effect of local chemical ordering on the structural, electronic, and dynamical properties of amorphous gallium arsenide. Using the recently-proposed ``activation-relaxation technique'' and empirical potentials, we have constructed two 216-atom tetrahedral continuous random networks with different topological properties, which were further relaxed using tight-binding molecular dynamics. The first network corresponds to the traditional, amorphous, Polk-type, network, randomly decorated with Ga and As atoms. The second is an amorphous structure with a minimum of…
Whispering Gallery modes in bulk cylindrical Gallium Arsenide and Gallium Phosphide samples have been examined both in darkness and under white light at 50 K. In both samples we observed change in permittivity under light and dark conditions. This results from a change in the polarization state of the semiconductor, which is consistent with a free electron-hole creation/recombination process. The permittivity of the semiconductor is modified by free photocarriers in the surface layers of the sample which is the region sampled by Whispering Gallery modes.
Graphene consists of single or few layers of crystalline ordered carbon atoms. Its visibility on oxidized silicon (Si/SiO\_2) enabled its discovery and spawned numerous studies of its unique electronic properties. The combination of graphene with the equally unique electronic material gallium arsenide (GaAs) has up to now lacked such easy visibility. Here we demonstrate that a deliberately tailored GaAs/AlAs (aluminum arsenide) multi-layer structure makes graphene just as visible on GaAs as on Si/SiO\_2. We show that standard microscope images of exfoliated graphite on GaAs/AlAs suffice to ide…
Eutectic related reaction is a special chemical/physical reaction involving multiple phases, solid and liquid. Visualization of phase reaction of composite nanomaterials with high spatial and temporal resolution provides a key understanding of alloy growth with important industrial applications. However, it has been a rather challenging task. Here we report the direct imaging and control of the phase reaction dynamics of a single, as-grown free-standing gallium arsenide nanowire encapped with a gold nanoparticle, free from environmental confinement or disturbance, using four-dimensional electr…
The nitrogen-vacancy (NV) center occurs in GaAs bulk crystals doped or implanted with nitrogen. The local vibration of nitrogen gives rise to a sharp infrared absorption band at 638 cm$^{-1}$, exhibiting a fine structure due to the different masses of neighboring $^{69}$Ga and $^{71}$Ga host isotopes. Piezospectroscopic investigations in the crystallographic <100> direction prove that the center has C$_\text{3v}$ point symmetry, which is weakly perturbed by the isotope effect. The stress-induced shifts of some band components show an unusual non-linear behavior that can be explained by couplin…
Femtosecond X-ray irradiation of solids excites energetic photoelectrons that thermalize on a timescale of a few hundred femtoseconds. The thermalized electrons exchange energy with the lattice and heat it up. Experiments with X-ray free-electron lasers have unveiled so far the details of the electronic thermalization. In this work we show that the data on transient optical reflectivity measured in GaAs irradiated with femtosecond X-ray pulses can be used to follow electron-lattice relaxation up to a few tens of picoseconds. With a dedicated theoretical framework, we explain the so far unexpla…
Gallium arsenide (GaAs) is the widest used second generation semiconductor with a direct band gap and increasingly used as nanofilms. However, the magnetic properties of GaAs nanofilms have never been studied. Here we find by comprehensive density functional theory calculations that GaAs nanofilms cleaved along the <111> and <100> directions become intrinsically metallic films with strong surface magnetism and magnetoelectric (ME) effect. The surface magnetism and electrical conductivity are realized via a combined effect of transferring charge induced by spontaneous electric-polarization thro…
We present an ab initio study of dopant-dopant interactions in beryllium-doped InGaAs. We consider defect formation energies of various interstitial and substitutional defects and their combinations. We find that all substitutional-substitutional interactions can be neglected. On the other hand, interactions involving an interstitial defect are significant. Specially, interstitial Be is stabilized by about 0.9/1.0 eV in the presence of one/two BeGa substitutionals. Ga interstitial is also substantially stabilized by Be interstitials. Two Be interstitials can form a metastable Be-Be-Ga complex …
A roadblock in utilizing InGaAs for scaled-down electronic devices is its anomalous dopant diffusion behavior; specifically, existing models are not able to explain available experimental data on beryllium diffusion consistently. In this paper, we propose a comprehensive model, taking self-interstitial migration and Be interaction with Ga and In into account. Density functional theory (DFT) calculations are first used to calculate the energy parameters and charge states of possible diffusion mechanisms. Based on the DFT results, continuum modeling and kinetic Monte Carlo simulations are then p…
Molecular-like carbon-nitrogen complexes in GaAs are investigated both experimentally and theoretically. Two characteristic high-frequency stretching modes at \num{1973} and \SI{2060}{cm^{-1}}, detected by Fourier transform infrared absorption (FTIR) spectroscopy, appear in carbon- and nitrogen-implanted and annealed layers. From isotopic substitution it is deduced that the chemical composition of the underlying complexes is CN$_2$ and C$_2$N, respectively. Piezospectroscopic FTIR measurements reveal that both centers have tetragonal symmetry. For density functional theory (DFT) calculations l…
We report on the fabrication of quantum photonic integrated circuits based on suspended GaAs membranes. The fabrication process consists of a single lithographic step followed by inductively-coupled-plasma dry etching through an electron-beam-resist mask and wet etching of a sacrificial layer. This method does not require depositing, etching, and stripping a hard mask, greatly reducing fabrication time and costs, while at the same time yielding devices of excellent structural quality. We discuss in detail the procedures for cleaning the resist residues caused by the plasma etching and present …
It was previously believed that the Bloch electronic states of non-magnetic materials with inversion symmetry cannot have finite spin polarizations. However, since the seminal work by Zhang et al. [Nat. Phys. 10, 387-393 (2014)] on local spin polarizations of Bloch states in non-magnetic, centrosymmetric materials, the scope of spintronics has been significantly broadened. Here, we show, using a framework that is universally applicable independent of whether hidden spin polarizations are small (e.g., diamond, Si, Ge, and GaAs) or large (e.g., MoS2 and WSe2), that the corresponding quantity ari…
In this paper, thermal conductivity of crystalline GaAs is calculated using first-principles lattice dynamics. The harmonic and cubic force constants are obtained by fitting them to the force-displacement data from density functional theory calculations. Phonon dispersion is calculated from dynamical matrix constructed using the harmonic force constants and phonon relaxation times are calculated using Fermi Golden rule. The calculated GaAs thermal conductivity agrees well with experimental data. Thermal conductivity accumulations as a function of phonon mean free path and as a function of wave…
Understanding the generation and evolution of defects induced in matter by ion irradiation is of fundamental importance to estimate the degradation of functional properties of materials. Computational approaches used in dierent communities, from space radiation eects to nuclear energy experiments, are based on a number of approximations that, among others, traditionally neglect the coupling between electronic and ionic degrees of freedom in the description of displacements. In this work, we study collision cascades in GaAs, including the electronic stopping power for selfprojectiles in dierent…
Electronic devices are extremely sensitive to defects in their constituent semiconductors, but locating electronic point defects in bulk semiconductors has previously been impossible. Here we apply scanning transmission electron microscopy (STEM) electron beam-induced current (EBIC) imaging to map electronic defects in a GaAs nanowire Schottky diode. Imaging with a non-damaging 80 or 200 kV STEM acceleration potential reveals a minority-carrier diffusion length that decreases near the surface of the hexagonal nanowire, thereby demonstrating that the device's charge collection efficiency (CCE) …
Hybrid silicon nanowires with an integrated light-emitting segment can significantly advance nanoelectronics and nanophotonics. They would combine transport and optical characteristics in a nanoscale device, which can operate in the fundamental single-electron and single-photon regime. III-V materials, such as direct bandgap gallium-arsenide, are excellent candidates for such optical segments. However, interfacing them with silicon during crystal growth is a major challenge, because of the lattice mismatch, different expansion coefficients and the formation of anti-phase boundaries. Here, we d…
GaN/SiO2 core/shell nanowires are grown by cobalt phthalocyanine catalyst assisted vapor-liquid-solid route, in which Si wafer coated with a mixture of gallium and indium is used as the source for Ga and Si and ammonia is used as the precursor for nitrogen and hydrogen. Gallium in the presence of indium and hydrogen, which results from the dissociation of ammonia, forms Si-Ga-In alloy at the growth temperature around 910 degree Celsius. This alloy acts as the source of Si, Ga and In. A detailed study using a variety of characterization tools reveals that these wires, which are several tens of …
Gallium nitride nanowires were grown on c-plane, r-plane and m-plane sapphire substrates in a showerhead metalorganic chemical vapor deposition system using nickel catalyst with trimethylgallium and ammonia as precursors. We studied the influence of carrier gas, growth temperature, reactor pressure, reactant flow rates and substrate orientation in order to obtain thin nanowires. The nanowires grew along the <10-11> and <10-10> axes depending on the substrate orientation. These nanowires were further characterized using x-ray diffraction, electron microscopy, photoluminescence and Raman spectro…
We report a new biphasic crystalline wurtzite/zinc-blende homostructure in gallium nitride nanowires. Cathodoluminescence was used to quantitatively measure the wurtzite and zinc-blende band gaps. High resolution transmission electron microscopy was used to identify distinct wurtzite and zinc-blende crystalline phases within single nanowires through the use of selected area electron diffraction, electron dispersive spectroscopy, electron energy loss spectroscopy, and fast Fourier transform techniques. A mechanism for growth is identified.
Semiconductor nanowires exhibit large polarization anisotropy for the absorption and emission of light, making them ideal building blocks for novel photonic metamaterials. Here, we demonstrate that a high density of aligned nanowires exhibits giant optical birefringence, a collective phenomenon observable uniquely for collections of wires. The nanowire material was grown on gallium phosphide (GaP) (111) in the form of vertically standing GaP nanowires. We obtain the largest optical birefringence to date, with a difference between the in-plane and out-of-plane refractive indices of 0.80 and a r…
Since the discovery of topological insulators (TI), there are considerable interests in demonstrating metallic surface states, their shielded robust nature to the backscattering and study their properties at nanoscale dimensions by fabricating nanodevices. Here we address an important scientific issue related to TI whether one can clearly demonstrate the robustness of topological surface states (TSS) to the presence of disorder that does not break any fundamental symmetry. The simple straightforward method of FIB milling was used to synthesize nanowires of Bi2Se3 which we believe an interestin…
Anion substitution with bismuth (Bi) in III-V semiconductors is an effective method for experimental engineering of the band gap Eg at low Bi concentrations, in particular in gallium arsenide (GaAs). The inverse Bi-concentration dependence of Eg has been found to be linear at low concentrations x and dominated by a valence band-defect level anticrossing between As and Bi occupied p levels. This dependence breaks down at high concentrations where empirical models accounting only for the As-Bi interaction are not applicable. Predictive models for the valence band hybridization require a first-pr…
Most III-V semiconductors, which acquire the zinc-blende phase as bulk materials, adopt the metastable wurtzite phase when grown in the form of nanowires. These are new semiconductors with new optical properties, in particular, a different electronic band gap when compared with that grown in the zinc-blende phase. The electronic gap of wurtzite InAs at the Gamma-point of the Brillouin zone (E0 gap) has been recently measured, E0 = 0.46 eV at low temperature. The electronic gap at the A point of the Brillouin zone (equivalent to the L point in the zinc-blende structure, E1) has also been obtain…
Polarization-dependent scattering anisotropy of cylindrical nanowires has numerous potential applications in, for example, nanoantennas, photothermal therapy, thermophotovoltaics, catalysis, sensing, optical filters and switches. In all these applications, temperature-dependent material properties play an important role and often adversely impact performance depending on the dominance of either radiative or dissipative damping. Here, we employ numerical modeling based on Mie scattering theory to investigate and compare the temperature and polarization-dependent optical anisotropy of metallic (…
We report kelvin to millikelvin-temperature measurements of dissipation and frequency shift in megahertz-range resonators fabricated from ultra-nanocrystalline diamond. Frequency shift $δf/f_0$ and dissipation $Q^{-1}$ demonstrate temperature dependence in the millikelvin range similar to that predicted by the glass model of tunneling two level systems. The logarithmic temperature dependence of $δf/ f_0$ is in good agreement with such models, which include phonon relaxation and phonon resonant absorption. Dissipation shows a weak power law, $Q^{-1}\propto T^{1/3}$, followed by saturation at lo…
