Related papers: Effect of strain on surface diffusion in semicondu…
Quantum dot lasers have been the focus of researchers due to their interesting optical properties owing to quantum confinement of carriers. In epitaxial quantum dots formed on a substrate, band-edge diagrams sound to more complex than…
Surface strain plays a key role in enhancing the activity of Pt-alloy nanoparticle oxygen reduction catalysts. However, the details of strain effects in real fuel cell catalysts are not well-understood, in part due to a lack of strain…
The equilibrium shape of strained InAs quantum dots grown epitaxially on a GaAs(001) substrate is derived as a function of volume. InAs surface energies are calculated within density-functional theory, and a continuum approach is applied…
Strains strongly affect the properties of low-dimensional materials, such as graphene. By combining in situ, in operando, reflection high energy electron diffraction experiments with first-principles calculations, we show that large…
We report atomic scale studies of the effect of applied strain and hydrogen environment on the reconstructions of the (105) Si and Ge surfaces. Surface energy calculations for monohydride-terminated (001) and (105) reconstructions reveal…
In this paper we analyze the effect of a combined pure homogeneous strain and simple shear in a principal plane of the latter on the propagation of surface waves for an incompressible isotropic elastic half-space whose boundary is normal to…
Epitaxial MnTe films have recently seen a spur of research into their altermagnetic semiconducting properties. However, those properties may be extremely sensitive to structural and chemical modifications. We report a detailed investigation…
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…
We study how the binding energy, the vibrational frequencies and the adsorption isotherm of CO on Pd(100) are modified when the solid is subject to uniform strain. The parameters controlling the thermodynamics of adsorption (the adsorption…
Diffusion of Ga adatom at the As rich, low temperature c(4$\times$4) reconstructions of GaAs(001) surface is analyzed. We use known energy landscape for the motion of Ga adatom at two different $\alpha$ and $\beta$ surface phases to…
Si(111) and Ge(111) surface formation energies were calculated using density functional theory for various biaxial strain states ranging from -0.04 to 0.04, and for a wide set of experimentally observed surface reconstructions: 3x3, 5x5,…
We present models of surfaces of crystals in an environment where molecular beam epitaxy (MBE) and related methods of crystal growth like atomic layer epitaxy (ALE) can be performed. Besides detailed models of reconstructed (001) surfaces…
We investigate the kinetics of submonolayer epitaxial growth which is driven by a fixed flux of monomers onto a substrate. Adatoms diffuse on the surface, leading to irreversible aggregation of islands. We also account for the effective…
We present a comprehensive investigation of reconstructions on $\beta$-Ga$_2$O$_3$(001) combining first-principles calculations with experimental observations. Using ab initio atomistic thermodynamics and replica-exchange grand-canonical…
Silicon-Germanium (Si$_{1-x}$Ge$_x$) layers are commonly used as stressors in the gate of MOSFET devices. They are expected to introduce a beneficial stress in the drift and channel regions to enhance the electron mobility. When reducing…
The diffusivity of Ga and Al adatoms on the (2x4) reconstructed GaAs(001) surface are evaluated using detailed ab initio total energy calculations of the potential energy surface together with transition state theory. A strong diffusion…
Controlling the strain level in nanowire heterostructures is critical for obtaining coherent interfaces of high crystalline quality and for the setting of functional properties such as photon emission, carrier mobility or piezoelectricity.…
Thin crystalline layers of TaAs Weyl semimetal (9 and 18 nm thick) are grown by molecular beam epitaxy on GaAs(001) substrates. The (001) planes of the tetragonal TaAs lattice are parallel to the GaAs(001) substrate, but the corresponding…
The results of a density-functional-theory study of the formation energies of (100)- and (111)-faceted steps on the Pt(111) surface, as well as of the barrier for diffusion of an adatom on the flat surface, are presented. The step formation…
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…