Related papers: Computational design of optimal heterostructures f…
While $\beta$-Ga$_2$O$_3$ is considered a promising wide bandgap semiconductor, the impact of ion-induced defect formation and anisotropic elasticity remains poorly understood. Here, we combine a simulation and experiment X-ray diffraction…
InGaN-based visible LEDs find commercial applications for solid-state lighting and displays, but lattice mismatch limits the thickness of InGaN quantum wells that can be grown on GaN with high crystalline quality. Since narrower wells…
Elastic and structural properties of $\beta$-Ga$_2$O$_3$ and $\alpha$-Ga$_2$O$_3$ are investigated from first principles. The full elastic tensors and elastic moduli of both phases at $0$ K are computed in the framework of semi-local…
Due to the wide range of possible applications, atomically thin two-dimensional heterostructures have attracted much attention. In this work, using first-principles calculations, we investigated the structural and electronic properties of…
Heterostructures made of transition metal oxides are new tailor-made materials which are attracting much attention. We have constructed a 6-band k.p Hamiltonian and used it within the envelope function method to calculate the subband…
In this paper, density functional theory calculations are used to explore the electronic and atomic reconstruction at interfaces between III-III/I-V oxides. In particular, at these interfaces, two dimensional electron gases (2DEGs) with…
Bandgap engineering and quantum confinement in semiconductor heterostructures provide the means to fine-tune material response to electromagnetic fields and light in a wide range of the spectrum. Nonetheless, forming semiconductor…
The cubic $Ia\bar{3}$ (BC8) and tetragonal $P4_32_12$ (ST12) high pressure modifications of Si and Ge are attractive candidates for applications in optoelectronic, thermoelectric or plasmonic devices. Si$_x$Ge$_{1-x}$ alloys in BC8/ST12…
We employ an eigen polarization model including the description of direction dependent excitonic effects for rendering critical point structures within the dielectric function tensor of monoclinic \beta-Ga2O3 yielding a comprehensive…
The structural and electronic properties in common anion (GaSb)_1/(InSb)_1 and common cation (InAs)_1/(InSb)_1 [111] ordered superlattices have been determined using the local density total energy full potential linearized augmented plane…
$\beta$-Ga$_2$O$_3$ is a promising ultra-wide bandgap semiconductor whose properties can be further enhanced by alloying with Al. Here, using atomic-resolution scanning transmission electron microscopy (STEM), we find the…
Heterostructures of graphene in proximity to magnetic insulators open the possibility to investigate exotic states emerging from the interplay of magnetism, strain and charge transfer between the layers. Recent reports on the growth of…
We report on energy bands and breakdown characteristics of Al2O3 dielectrics on ultra-wide bandgap (UWBG) AlGaN heterostructures. Metal-dielectric-semiconductor structures are important to sustain high fields needed for future…
We investigate the phase diagram of the heterostructural solid solution (InxGa1-x)2O3 both computationally, by combining cluster expansion and density functional theory, and experimentally, by means of TEM measurements of pulsed laser…
The in-situ metalorganic chemical vapor deposition (MOCVD) growth of Al$_2$O$_3$ dielectrics on $\beta$-Ga$_2$O$_3$ and $\beta$-(Al$_x$Ga$_{1-x}$)$_2$O$_3$ films is investigated as a function of crystal orientations and Al compositions of…
We report a detailed ab initio study of two superlattice heterostructures, one component of which is a unit cell of CuPt ordered InSb_(0.5)As_(0.5). This alloy part of the heterostructures is a topological semimetal. The other component of…
From systematic ab initio calculations of the alloy system Mg_{1-x}Al_{x}B_2, we find a strong tendency for the formation of a superstructure characterized by Al-rich layers. We also present a simple model, based on calculated energies and…
The capacitance of a double-heterojunction structure with a wide GaAs undoped layer embedded between two selectively doped AlGaAs barriers is calculated self-consistently as a function of intensity of the in-plane magnetic field. With…
We provide theoretical consideration of intersubband transitions designed in the ultrawide bandgap Aluminum Gallium Oxide ((AlxGa1-x)2O3)/Gallium Oxide (Ga2O3)) quantum well system. Conventional material systems have matured into successful…
A significant limitation of wide-bandgap materials is their low hole mobility related to localized holes with heavy effective masses ($m_h^*$). We identify in low-symmetric wide-bandgap compounds an anion-anion antibonding coupling (AAAC)…