Related papers: Model for nucleation in GaAs homoepitaxy derived f…
By carefully choosing parameters and including more semi-core orbitals as valence electrons, we have constructed a high quality projected augmented wave (PAW) dataset that yields results comparable to existing full-potential linearized…
Nowadays, electrochemical reduction of CO$_2$ has been considered as an effective method to solve the problem of global warming. The primary challenge in studying the mechanism is to determine the adsorption states of CO$_2$, since…
The direct growth of III-V semiconductors on silicon holds tremendous potential for photonics applications. However, the inherent differences in their properties lead to defects in the epitaxial layer, including threading dislocations…
We examine whether essence and quantitative aspects of electronic excitation spectra are correctly captured by an effective low-energy model constructed from an {\em ab initio} downfolding scheme. A global electronic structure is first…
We present a systematic study of the atomic and electronic structure of the Si(111)-(5x2)-Au reconstruction using first-principles electronic structure calculations based on the density functional theory. We analyze the structural models…
Here we report on non-uniform shell growth of In(x)Ga(1-x)As onto GaAs nanowire (NW) core by molecular beam epitaxy (MBE). The growth was realized on pre-patterned silicon substrates with pitch size (p) ranging from 0.1 um to 10 um.…
Germanium is reemerging as a prominent material in the semiconductor field, particularly for electronic applications, photonics, photovoltaics and thermophotovoltaics. Its combination with III-V compound semiconductors through epitaxial…
This study is an optimization of GaAs and Al$_{0.55}$Ga$_{0.45}$As growth on GaAs (111)B substrates with a surface misorientation of 2{\deg} towards [$\bar{2}$11], aiming to enhance surface morphology. For quantum optical metasurfaces…
The phase diagram of the first layer of H$_2$ adsorbed on top of a single graphene sheet has been calculated by means of a series of diffusion Monte Carlo (DMC) simulations. We have found that, as in the case of $^4$He, the ground state of…
We present an experimental investigation of the magnetic, electrical and structural properties of Ga0.94Mn0.06As1-yPy layers grown by molecular beam epitaxy on GaAs substrates for y less than or equal to 0.3. X-ray diffraction measurements…
Comprehensive investigations on ZnSe/GaAs and GaAs/ZnSe interfaces were carried out by photoluminescence (PL) and transmission electron microscopy (TEM), as a part of realizing high quality ZnSe-GaAs (100) hetero-valent structures (HS). The…
Quantum dot (QD) growth on high ($c_{3v}$) symmetry GaAs{111} surfaces holds promise for efficient entangled photon sources. Unfortunately, homoepitaxy on GaAs{111} surfaces suffers from surface roughness/defects and InAs deposition does…
The electronic structure around a single As antisite in GaAs is investigated in bulk and near the surface both in the stable and the metastable atomic configurations. The most characteristic electronic structures of As antisite is the…
We present a combined experimental and theoretical study of submonolayer heteroepitaxial growth of Ag on Si(111)-7x7 at temperatures from 420 K to 550 K when Ag atoms can easily diffuse on the surface and the reconstruction 7x7 remains…
Au nanoclusters grown on SiO$_2$ by physical vapor deposition are exposed to Br$_2$ and then measured with 1.5 keV Na$^+$ low energy ion scattering. It is found that the clusters are able to dissociate the molecules which then adsorb as…
We investigate in detail the self-assembled nucleation and growth of GaN nanowires by molecular beam epitaxy on crystalline TiN films. We demonstrate that this type of substrate allows the growth of long and thin GaN nanowires that do not…
Atomic structures and adatom geometries of surfaces encode information about the thermodynamics and kinetics of the processes that lead to their formation, and which can be captured by a generative physical model. Here we develop a workflow…
First principles density functional calculations are used to study the early oxidation stages of the Mg(0001) surface for oxygen coverages 1/16 <= Theta <= 3 monolayers. It is found that at very low coverages O is incorporated below the…
We develop a theory of nucleation on top of two-dimensional islands bordered by steps with an additional energy barrier $\Delta E_S$ for descending atoms. The theory is based on the concept of the residence time of an adatom on the…
GaAs quantum dots grown by droplet etching epitaxy are high-quality solid-state sources of quantum light. Despite implementation in devices that exploit quantum phenomenon, a comprehensive review on the crystal growth of quantum dots grown…