Related papers: Band Offsets at \beta/{\gamma}-$\mathrm{Ga}_{2}\ma…
Understanding the unique properties of ultra-wide band gap semiconductors requires detailed information about the exact nature of point defects and their role in determining the properties. Here, we report the first direct microscopic…
The natural and true band profiles at heterojunctions formed by hexagonal Si$_x$Ge$_{1-x}$ alloys are investigated by a variety of methods: density functional theory for atomic geometries, approximate quasiparticle treatments for electronic…
LaAlO3/SrTiO3 ad LaTiO3/SrTiO3 interfaces are known to host a strongly inhomogeneous (nearly) two-dimensional electron gas (2DEG). In this work we present three unconventional electronic mechanisms of electronic phase separation (EPS) in a…
The band offsets between crystalline and hydrogenated amorphous silicon (a-Si:H) are key parameters governing the charge transport in modern silicon hetrojunction solar cells. They are an important input for macroscopic simulators that are…
We report on the modeling of polarization-induced two-dimensional electron gas (2DEG) formation at ${\epsilon}$-AlGaO3 / ${\epsilon}$-Ga2O3 heterointerface and the effect of spontaneous polarization (Psp) reversal on 2DEG density in…
Monoclinic $\beta$-Ga$_2$O$_3$, a promising wide band gap semiconducting material, exhibits complex, anisotropic diffusional characteristics and mass transport behavior as a results of its low symmetry crystal structure. From…
The conducting quasi-two dimensional electron system (q2DES) formed at the interface between LaAlO3 and SrTiO3 band insulators is confronting the condensed matter physics community with new paradigms. While the mechanism for the formation…
Ga$_2$O$_3$ is a wide-bandgap material of interest for a wide variety of devices, many of these requiring heterostructures, for instance to achieve carrier confinement. A common method to create such heterostructures is to alloy with…
Oxide-based two-dimensional electron gases (2DEGs) have generated significant interest due to their potential for discovering novel physical properties. Among these, 2DEGs formed in KTaO3 stand out due to the recently discovered crystal…
The simultaneous occurrence of electric-field controlled superconductivity and spin-orbit interaction makes two-dimensional electron systems (2DES) constructed from perovskite transition metal oxides promising candidates for the next…
$\beta$-Ga$_2$O$_3$ is an ultra-wide bandgap semiconductor and is thus expected to be optically transparent to light of sub-bandgap wavelengths well into the ultraviolet. Contrary to this expectation, it is found here that free electrons in…
We present a theoretical study of the electronic structures of freestanding nanowires made from gallium phosphide (GaP)--a III-V semiconductor with an indirect bulk bandgap. We consider [001]-oriented GaP nanowires with square and…
We have performed accurate \emph{ab--initio} pseudopotential calculations for the structural and electronic properties of ZnSe/GaAs(001) heterostructures with interface configurations accounting for charge neutrality prescriptions. Beside…
The electronic structure of two-dimensional (2D) semiconductors can be significantly altered by screening effects, either from free charge carriers in the material itself, or by environmental screening from the surrounding medium. The…
The bowing of the energy of the three lowest band-to-band transitions in $\beta$-(Al$_{x}$Ga$_{1-x}$)$_2$O$_3$ alloys was resolved using a combined density functional theory (DFT) and generalized spectroscopic ellipsometry (GSE) approach.…
Rapid design and development of the emergent ultra-wide bandgap semiconductors Ga$_2$O$_3$ and Al$_2$O$_3$ requires a compact model of their electronic structures, accurate over the broad energy range accessed in future high-field,…
Oxide heterostructures are of great interest both for fundamental and applicative reasons. In particular the two-dimensional electron gas at the LaAlO$_3$/SrTiO$_3$ or LaTiO$_3$/SrTiO$_3$ interfaces displays many different physical…
Oxide two-dimensional electron gases (2DEGs) promise high charge carrier concentrations and low-loss electronic transport in semiconductors such as BaSnO$_{3}$ (BSO). ACBN0 computations for BSO/SrNbO$_{3}$ (SNO) interfaces show…
The discovery of two-dimensional electron gas (2DEG) at well-defined interfaces between insulating complex oxides provides the opportunity for a new generation of all-oxide electronics. Particularly, the 2DEG at the interface between two…
The versatility of properties displayed by two-dimensional electron gases (2DEGs) at oxide interfaces has fostered intense research in hope of achieving exotic electromagnetic effects in confined systems. Of particular interest is the…