arXiv subjects

Marco Schowalter

Publications and source records attributed to Marco Schowalter.

3 recordsLinked to original sources

arXiv2026

Modelling the mean inner potential of alloyed and strained materials

In this publication, we study the influence of strain and alloying on the mean inner potential (MIP) using density functional theory (DFT) within an augmented plane waves plus local orbitals basis set. Two major effects have been identified allowing to model the influence of strain and alloying on the mean inner potential with a reasonable accuracy. First, alloying for constant volume results in a linear relationship between the MIP and the concentration. Second, the MIP scales with changes in volume as we already pointed out in an earlier publication (M. Schowalter, D. Lamoen, A. Rosenauer, P. Kruse, and D. Gerthsen, Appl. Phys. Lett. 85, 4938-4940 (2004)). Specifically, a linear relationship between MIP and concentration x was found for AlGaAs (nearly no change in lattice parameter), whereas InGaP and GeSi (volume changes with concentration x) exhibits a clear bowing. The bowing can be modeled by taking the rescaling of the MIP with the varying volume additionally into account. The rescaling could be also used to model the dependence of the MIP on strained binary cells and the density dependence of e.g. amorphous materials.

cond-mat.mtrl-sci↗

arXiv2023

Growth, catalysis and faceting of $α$-Ga$_2$O$_3$ and $α$-(In$_x$Ga$_{1-x}$)$_2$O$_3$ on $m$-plane $α$-Al$_2$O$_3$ by molecular beam epitaxy

The growth of $α$-Ga$_2$O$_3$ and $α$-(In$_x$Ga$_{1-x}$)$_2$O$_3$ on $m$-plane $α$-Al$_2$O$_3$(10$\bar{1}$0) by molecular beam epitaxy (MBE) and metal-oxide-catalyzed epitaxy (MOCATAXY) is investigated. By systematically exploring the parameter space accessed by MBE and MOCATAXY, phase-pure $α$-Ga$_2$O$_3$(10$\bar{1}$0) and $α$-(In$_x$Ga$_{1-x}$)$_2$O$_3$(10$\bar{1}$0) thin films are realized. The presence of In on the $α$-Ga$_2$O$_3$ growth surface remarkably expands its growth window far into the metal-rich flux regime and to higher growth temperatures. With increasing O-to-Ga flux ratio ($R_{\text{O}}$), In incorporates into $α$-(In$_x$Ga$_{1-x}$)$_2$O$_3$ up to $x \leq 0.08$. Upon a critical thickness, $β$-(In$_x$Ga$_{1-x}$)$_2$O$_3$ nucleates and subsequently heteroepitaxially grows on top of $α$-(In$_x$Ga$_{1-x}$)$_2$O$_3$ facets. Metal-rich MOCATAXY growth conditions, where $α$-Ga$_2$O$_3$ would not conventionally stabilize, lead to single-crystalline $α$-Ga$_2$O$_3$ with negligible In incorporation and improved surface morphology. Higher $T_{\text{G}}$ further results in single-crystalline $α$-Ga$_2$O$_3$ with well-defined terraces and step edges at their surfaces. For $R_{\text{O}} \leq 0.53$, In acts as a surfactant on the $α$-Ga$_2$O$_3$ growth surface by favoring step edges, while for $R_{\text{O}} \geq 0.8$, In incorporates and leads to a-plane $α$-(In$_x$Ga$_{1-x}$)$_2$O$_3$ faceting and the subsequent ($\bar{2}$01) $β$-(In$_x$Ga$_{1-x}$)$_2$O$_3$ growth on top. Thin film analysis by STEM reveals highly crystalline $α$-Ga$_2$O$_3$ layers and interfaces. We provide a phase diagram to guide the MBE and MOCATAXY growth of single-crystalline $α$-Ga$_2$O$_3$ on $α$-Al$_2$O$_3$(10$\bar{1}$0).

cond-mat.mtrl-sci↗

arXiv2012

Nano scale phase separation in Au-Ge system on ultra clean Si(100) surfaces

We report on the formation of lobe-lobe (bi-lobed) Au-Ge nanostructures under ultra high vacuum (UHV) conditions (\approx 3\times 10^{-10} mbar) on clean Si(100) surfaces. For this study, \approx 2.0 nm thick Au samples were grown on the substrate surface by molecular beam epitaxy (MBE). Thermal annealing was carried out inside the UHV chamber at temperature \apprx 500°C and following this, nearly square shaped Au_{x}Si_{1-x} nano structures of average length \approx 48 nm were formed. A \approx 2 nm Ge film was further deposited on the above surface while the substrate was kept at a temperature of \approx 500°C. Well ordered Au-Ge nanostructures where Au and Ge residing side by side (lobe-lobe structures) were formed. In our systematic studies, we show that, gold-silicide nanoalloy formation at the substrate (Si) surface is necessary for forming phase separated Au-Ge bilobed nanostructures. Electron microscopy (TEM, STEM-EDS, SEM) studies were carried out to determine the structure of Au - Ge nano systems. Rutherford backscattering Spectrometry measurements show gold inter-diffusion into substrate while it is absent for Ge.

cond-mat.mes-hall↗