Related papers: $\beta$-Ga$_2$O$_3$(001) surface reconstructions f…
The epitaxial growth of complex oxides enables the production of high-quality films, yet substrate choice is restricted to certain symmetry and lattice parameters, thereby limiting the technological applications of epitaxial oxides. In…
This work presents the surface reconstructions and transport properties of the topological insulator PtLuSb grown on Al0.1In0.9Sb/GaAs (001). Two stable surface reconstructions, (1x3) and c(2x2), were observed on PtLuSb (001) surfaces.…
Two-dimensional electron gases (2DEGs) in oxides show great potential for discovering new physical phenomena and at the same time hold promise for electronic applications. In this work we use angle resolved photoemission to determine the…
Specific forms of the exchange correlation energy functionals in first-principles density functional theory-based calculations, such as the local density approximation (LDA) and generalized-gradient approximations (GGA), give rise to…
Electronic and atomic structures of the clean, and As and Te covered Si(211) surface are studied using pseudopotential density functional method. The clean surface is found to have (2 X 1) and rebonded (1 X 1) reconstructions as stable…
Recent photoemission experiments on the Si(553)-Au reconstruction show a one-dimensional band with a peculiar ~1/4 filling. This band could provide an opportunity for observing large spin-charge separation if electron-electron interactions…
A detailed reexamination of the (110) surface structure of rutile TiO2 has been carried out using first-principles total-energy methods. This investigation is in response to a recent high-precision LEED-IV measurement revealing certain…
We report CO-induced lifting of the hexagonal surface reconstruction on Au (001). Using in-situ surface x-ray scattering, we determined a pressure-temperature phase diagram for the reconstruction and measured the dynamical evolution of the…
The adsorption of CO on unreconstructed and reconstructed Ir{100} has been studied, using a combination of density functional theory and thermodynamics, to determine the relative stability of the two phases as a function of CO coverage,…
The structure of the $(\sqrt{5}\times\sqrt{5})R26.6^\circ$ reconstruction of LaAlO$_3$ (001) has been determined using transmission electron diffraction combined with direct methods. The structure is relatively simple, consisting of a…
We investigate the growth kinetics on vicinal GaAs(001) surfaces by making detailed comparisons between reflection high--energy electron--diffraction specular intensity measured near in--phase diffraction conditions and the surface step…
Here we report about the interface reconstruction in the recently discovered superconducting artificial superlattices based on insulating CaCuO2 and SrTiO3 blocks. Hard x-ray photoelectron spectroscopy shows that the valence bands alignment…
The chemical, structural, mechanical, and dynamical stabilities of the $\alpha$- and $\beta$-Ga$_2$O$_3$ are confirmed from respective negative formation energies, negative cohesive energies, favorable elastic constants, and positive phonon…
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…
By carrying out Monte Carlo simulations based on the two-species atomic-scale kinetic growth model of GaAs(001) homoepitaxy and comparing the results with scanning tunneling microscope images, we show that initial growing islands undergo…
Nickel and Rhodium (001) surfaces display a similar - as from STM images - clock reconstruction when half a monolayer of C/Ni, N/Ni or O/Rh is adsorbed; no reconstruction is observed instead for O/Ni. Adsorbate atoms sit at the center of…
We study the initial interaction of adsorbed H2O with P-rich and Ga-rich GaP(100) surfaces. Atomically well defined surfaces are prepared by metal-organic vapour phase epitaxy and transferred contamination-free to ultra-high vacuum, where…
We present a detailed first-principles analysis of the (001) surface of methylammonium lead triiodide (MAPbI3). With density-functional theory we investigate the atomic and electronic structure of the tetragonal (I4cm) phase of MAPbI3. We…
500-nm-thick $\mathrm{In}_{x}\mathrm{Ga}_{1-x}\mathrm{N}$ layers with $x=$ 0.05-0.14 are grown using plasma-assisted molecular beam epitaxy, and their properties are assessed by a comprehensive analysis involving x-ray diffraction,…
The origin of the $3 \times 1$ reconstruction observed in epitaxial LaCoO$_{3}$ films on SrTiO$_3(001)$ is assessed by using first-principles calculations including a Coulomb repulsion term. We compile a phase diagram as a function of the…