Related papers: Model for nucleation in GaAs homoepitaxy derived f…
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…
High-entropy alloys (HEAs) balance mixing entropy and intermetallic phase formation enthalpy, creating a vast compositional space for structural and functional materials (1-6). They exhibit exceptional strength-ductility trade-offs in…
First-principles total energy calculations and experimental measurements were performed to study the surface reconstructions of the magnetostrictive Fe3Ga alloy. The magnetostrictive behavior was evaluated in the bulk by compressing and…
We present a density functional study of the structural and electronic properties of small Cu_n (n=1,4) aggregates on defect-free MgO(100). The calculations employ a slab geometry with periodic boundary conditions, supercells with up to 76…
The incorporation paths of Be in GaAs nanowires grown by the Ga-assisted method in molecular beam epitaxy has been investigated by electrical measurements of nanowires with different doping profiles. We find that Be atoms incorporate…
Semiconductor core$-$shell nanowires based on the GaAs substrate are building blocks of many photonic, photovoltaic and electronic devices, thanks to the associated direct band-gap and the highly tunable optoelectronic properties. The…
Ab initio total-energy density-functional methods with supercell models have been employed to calculate the c(2x2) structure of the Br-adsorbed Ag(100) and Au(100) surfaces. The atomic geometries of the surfaces and the preferred bonding…
We study the atomic oxygen adsorption on Pb(111) surface by using density-functional theory within the generalized gradient approximation and a supercell approach. The atomic and energetic properties of purely on-surface and subsurface…
Real-time analysis of the growth modes during homoepitaxial (0001)GaN growth by plasma-assisted molecular beam epitaxy was performed using reflection high energy electron diffraction. A growth mode map was established as a function of Ga/N…
Ga$_2$O$_3$ and its polymorphs are attracting increasing attention. The rich structural space of polymorphic oxide systems such as Ga$_2$O$_3$ offers potential for electronic structure engineering, which is of particular interest for a…
The nature of the alpha-Sn/Ge(111) surface is still a matter of debate. In particular, two possible configurations have been proposed for the 3x3 ground state of this surface: one with two Sn adatoms in a lower position with respect to the…
A mean field method to study heteroepitaxial thin film growth is applied to growth, intermixing and surface reconstructions of $Au$ on $Ag(110)$. The results are in accordance with experimentally observed ``burrowing'' at submonolayer…
We report a scalable molecular beam epitaxy strategy to achieve a low density of O-band electrically tunable InAs/InGaAs quantum dots (QDs) on GaAs(001) substrates. Our approach is based on a gradient deposition of InAs in the sub-ML regime…
Rutile GeO2 has been predicted to be an ultra-wide bandgap semiconductor suitable for future power electronics devices while quartz-like GeO2 shows piezoelectric properties. To explore these crystalline phases for application and…
Sodium atoms and clusters (N<5) on graphite (0001) are studied using density functional theory, pseudopotentials and periodic boundary conditions. A single Na atom is observed to bind at a hollow site 2.45 A above the surface with an…
Two-dimensional electrons confined to GaAs quantum wells are hallmark platforms for probing electron-electron interaction. Many key observations have been made in these systems as sample quality improved over the years. Here, we present a…
Modulation doped GaAs-AlGaAs quantum well based structures are usually used to achieve very high mobility 2-dimensional electron (or hole) gases. Usually high mobilities ($>10^{7}{\rm{cm}^{2}\rm{V}^{-1}\rm{s}^{-1}}$) are achieved at high…
We identify the atomic structure of the Au/Si(111)-5x2 surface by using density functional theory calculations. With seven Au atoms per unit cell, our model forms a bona fide 5x2 atomic structure, which is energetically favored over the…
We have performed an {\it ab initio} theoretical investigation of graphene sheet adsorbed on amorphous SiO$_2$ surface (G/a-SiO$_2$). We find that graphene adsorbs on the a-SiO$_2$ surface through van der Waals interactions. The…
We demonstrate selective area epitaxy of GaAs films using patterned graphene masks on a Ge (001) substrate. The GaAs selectively grows on exposed regions of the Ge substrate, for graphene spacings as large as 10 microns. The selectivity is…