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Using density-functional theory we investigate several properties of Al(111), Al(100), Al(110), and stepped Al(111) surfaces. We report results of formation energies of surfaces, steps, adatoms, and vacancies. For the adsorption and…

mtrl-th · Physics 2008-02-03 Roland Stumpf , Matthias Scheffler

This paper presents the experimental results on research of growth processes of GaAs layers on silicon substrates by molecular beam epitaxy. The formation of buffer Si layer in a single growth process has been found to significantly improve…

We study the influence of epitaxial strain on the electronic properties of InAs/GaSb composite quantum wells (CQWs), host structures for quantum spin Hall insulators, by transport measurements and eight-band $\mathbf{k\cdot p}$…

Mesoscale and Nanoscale Physics · Physics 2020-03-02 H. Irie , T. Akiho , F. Couëdo , R. Ohana , K. Suzuki , K. Onomitsu , K. Muraki

Images of the morphology of GaN (0001) surfaces often show half-unit-cell-height steps separating a sequence of terraces having alternating large and small widths. This can be explained by the $\alpha \beta \alpha \beta$ stacking sequence…

Monte Carlo simulations of an atomistic solid-on-solid model are used to study the effect of lattice misfit on the distribution of two-dimensional islands sizes as a function of coverage $\Theta$ in the submonolayer aggregation regime of…

Condensed Matter · Physics 2009-10-22 C. Ratsch , A. Zangwill , P. Šmilauer

Convenient variational formula for collective diffusion of many particles adsorbed at lattices of arbitrary geometry is formulated. The approach allows to find the expressions for the diffusion coefficient for any value of the system's…

Statistical Mechanics · Physics 2018-07-04 Marcin Mińkowski , Magdalena A. Załuska--Kotur

We report differences in adsorption and reaction energetics for ethylene on Si(001) with respect to different dangling bond configurations induced by hydrogen precoverage as obtained via density functional theory calculations. This can help…

Chemical Physics · Physics 2016-12-06 Josua Pecher , Gerson Mette , Michael Dürr , Ralf Tonner

Ab initio calculations were applied to large size slabs simulations for determination of the properties of the principal structures of the stoichiometric GaN(0001) surface. The results are different from published previously: stoichiometric…

Materials Science · Physics 2024-06-06 Paweł Strak , Wolfram Miller , Stanisław Krukowski

Germanium (Ge), the next-in-line group-IV material, bears great potential to add functionality and performance to next-generation nanoelectronics and solid-state quantum transport based on silicon (Si) technology. Here, we investigate the…

Ge/Si(001) multilayer heterostructures containing arrays of low-temperature self-assembled Ge quantum dots and very thin Si$_x$Ge$_{1-x}$ layers of varying composition and complex geometry have been studied using Raman spectroscopy and…

We report on growth of Te-doped self-catalyzed InAs nanowires by molecular beam epitaxy on silicon (111) substrates. Changes in the wire morphology, i.e. a decrease in length and an increase in diameter have been observed with rising doping…

The role of step edge diffusion (SED) in epitaxial growth is investigated. To this end we revisit and extend a recently introduced simple cubic solid-on-solid model, which exhibits the formation and coarsening of pyramid or mound like…

Statistical Mechanics · Physics 2009-10-31 S. Schinzer , M. Kinne , M. Biehl , W. Kinzel

We study the adsorption behavior of Ga on (0001) GaN surfaces combining experimental specular reflection high-energy electron diffraction with theoretical investigations in the framework of a kinetic model for adsorption and ab initio…

Materials Science · Physics 2009-11-10 C. Adelmann , J. Brault , G. Mula , B. Daudin , L. Lymperakis , J. Neugebauer

The heteroepitaxial growth of Re (0001) films on Nb (110) surfaces has been investigated. Nb/Re bilayers were grown on A-plane sapphire -- alpha-Al2O3 (11-20) -- by molecular beam epitaxy. While Re grew with a (0001) surface, the in-plane…

Materials Science · Physics 2010-11-23 Paul B. Welander

We address an unusual problem in the theory of elasticity motivated by the problem of reconstructing the strain field from partial information obtained using X-ray diffraction. Referred to as either high-energy X-ray diffraction…

Materials Science · Physics 2025-05-05 C. K. Cocke , A. Akerson , S. F. Gorske , K. T. Faber , K. Bhattacharya

Graphene, consisting of an inert, thermally stable material with an atomically flat, dangling bond-free surface is by essence an ideal template layer for van der Waals heteroepitaxy of two-dimensional materials such as silicene. However,…

Here, we quantitatively estimate the impact of the inevitable Si surface passivation prior to III-V/Si hetero-epitaxy on the surface energy of the Si initial substrate, and explore its consequences for the description of wetting properties.…

Materials Science · Physics 2024-01-23 S. Pallikkara Chandrasekharan , D. Gupta , C. Cornet , L. Pedesseau

Strain plays a critical role in the properties of materials. In silicon and silicon-germanium, strain provides a mechanism for control of both carrier mobility and band offsets. In materials integra-tion, strain is typically tuned through…

Elastic strain has the potential for a controlled manipulation of the band gap and spin-polarized Dirac states of topological materials, which can lead to pseudo-magnetic-field effects, helical flat bands and topological phase transitions.…

We investigate core/shell GaAs/(Pb,Sn)Te nanowire nanoheterostructures with wurtzite (wz) GaAs cores and (Pb,Sn)Te topological crystalline insulator shells. The nanostructures have been grown by molecular beam epitaxy using two distinct MBE…

Materials Science · Physics 2026-05-11 Maciej Wojcik , Sania Dad , Piotr Dziawa , Slawomir Kret , Wojciech Pacuski , Janusz Sadowski
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