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The ground-state energy, electron density, and related properties of ordinary matter can be computed efficiently when the exchange-correlation energy as a functional of the density is approximated semilocally. We propose the first meta-GGA…
All epitaxial GeSn-on-insulator (GeSnOI) heterostructures have been realized by conventional molecular beam epitaxy of both GeSn and a thin Gd2O3 insulating layer, on Si(111) substrates. Analysis of the crystal and surface quality by…
Gallium nitride (GaN) has emerged as an essential semiconductor material for energy-efficient lighting and electronic applications owing to its large direct bandgap of 3.4 eV. Present GaN/AlGaN heterostructures seemingly feature an…
The electronic properties of epitaxial heterojunctions consisting of the prototypical perovskite oxide semiconductor,n-SrTiO3 and the high-mobility Group IV semiconductor p-Ge have been investigated. Hard x-ray photoelectron spectroscopy…
We show that electrons in ordinary III-V semiconductor double wells with an in-plane modulating periodic potential and inter well spin-orbit interaction are tunable Topological Insulators (TIs). Here the essential TI ingredients, namely,…
Mid-infrared silicon photonics has recently emerged as a new technology for a wide range of applications such as optical communication, lidar, and bio-sensing. One key component enabling this technology is the mid-infrared optical modulator…
First principles total-energy pseudopotential calculations have been performed to investigate STM images of the (110) cross-sectional surface of Mn-doped GaAs. We have considered configurations with Mn in interstitial positions in the…
We present a combined experimental and theoretical analysis of the evolution of the near-band gap electronic and optical properties of Si$_{x}$Ge$_{1-x-y}$Sn$_{y}$ alloys lattice-matched to Ge and GaAs substrates. We perform…
Exchange bias is a phenomenon critical to solid-state technologies that require spin valves or non-volatile magnetic memory. The phenomenon is usually studied in the context of magnetic interfaces between antiferromagnets and ferromagnets,…
The electronic and topological properties of single-layer X3YZ6 (X=Nb,Ta, Y=Si,Ge,Sn, Z=S,Se,Te) materials have been studied with the aid of first principles calculations. This kind of materials belong to topological semimetals (TMs) with…
Optomechanical systems based on nanophotonics are advancing the field of precision motion measurement, quantum control and nanomechanical sensing. In this context III-V semiconductors offer original assets like the heteroepitaxial growth of…
Group IV GeSn double-heterostructure (DHS) lasers offer unique advantages of a direct bandgap and CMOS compatibility. However, further improvements in laser performance have been bottlenecked by limited junction properties of GeSn through…
The existence of non-substitutional $\beta$-Sn defects in Ge$_{1-x}$Sn$_{x}$ was confirmed by emission channeling experiments [Decoster et al., Phys. Rev. B 81, 155204 (2010)], which established that although most Sn enters substitutionally…
We calculate the electronic structure of germanium-tin (Ge$_{1-x}$Sn$_{x}$) binary alloys for $0 \leq x \leq 1$ using density functional theory (DFT). Relaxed alloys with semiconducting or semimetallic behaviour as a function of Sn…
Bi alloying is predicted to transform GaAs from a semiconductor to a topological insulator or semi-metal. To date, studies of the GaAs$_{1-x}$Bi$_x$ alloy band structure have been limited, and the origins of Bi-induced enhancement of the…
The optical properties of a spherical topological insulator embedded concentrically in a single-electron system consisting of a core-shell GaAs quantum dot are analyzed, when the system is under a uniform external magnetic field. The…
Tuning the opto-electronic properties through alloying is essential for semiconductor technology. Currently, mostly isovalent and isostructural alloys are used (e.g., group-IV and III-V), but a vast and unexplored space of novel functional…
Coupled semiconductor nanostructures with a high degree of tunability are fabricated using local oxidation with a scanning force microscope. Direct oxidation of the GaAs surface of a Ga[Al]As heterostructure containing a shallow…
Topology and strong electron correlations are crucial ingredients in emerging quantum materials, yet their intersection in experimental systems has been relatively limited to date. Strongly correlated Weyl semimetals, particularly when…
The ability to engineer metamaterials with tunable nonlinear optical properties is crucial for nonlinear optics. Traditionally, metals have been employed to enhance nonlinear optical interactions through field localization. Here, inspired…