Related papers: Tackling Disorder in $\gamma$-Ga$_2$O$_3$

Disorder in high entropy alloys, arising from the random distribution of multiple elements, plays a crucial role in their novel properties desirable for various advanced engineering applications. We investigate the role of compositional and…

Tunneling between two parallel, two-dimensional electron gases (2DEGs) in a complex oxide heterostructure containing a large, mobile electron density of ~ 3x10^14 cm^-2 is used to probe the subband structure of the 2DEGs.…

Graphene oxide (GO) holds significant promise for electronic devices and nanocomposite materials. A number of models were proposed for GO structure, combining carboxyl, hydroxyl, carbonyl and epoxide groups at different locations. The…

We examine whether essence and quantitative aspects of electronic excitation spectra are correctly captured by an effective low-energy model constructed from an {\em ab initio} downfolding scheme. A global electronic structure is first…

The temperature dependence of the electrical resistivity of the heterostructures consisting of single crystalline LaMnO$_3$ samples with different crystallographic orientations covered by the epitaxial ferroelectric…

Finding suitable p-type dopants, as well as reliable doping and characterization methods for the emerging wide bandgap semiconductor $\beta$-$Ga_2O_3$ could strongly influence and contribute to the development of the next generation of…

The intermediate- and high-spin level structure of the odd-$A$ $^{69}$Ga nucleus was investigated via the $^{26}$Mg($^{48}$Ca, $p4n\gamma$) fusion evaporation reaction at a beam energy of 195 MeV. The experiment was performed using the…

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…

Reports of emergent conductivity, superconductivity, and magnetism at oxide interfaces have helped to fuel intense interest in their rich physics and technological potential. Here we employ magnetic force microscopy to search for…

A combined experimental/theoretical study of the EPR in irradiated $\beta$-Ga$_2$O$_3$ is presented. Four EPR spectra, two $S=1/2$ and two $S=1$, are observed after high-energy proton or electron irradiation. One of the S=1/2 spectra (EPR1)…

Within the framework of the density functional theory, we calculate the electronic structure of $\alpha$-(BEDT-TTF)$_2$I$_3$ at 8K and room temperature at ambient pressure and with uniaxial strain along the $a$- and $b$-axes. We confirm the…

We develop a procedure to determine the portion of exact Hartree-Fock exchange interaction contained in a hybrid density functional to treat the range of electronic correlation governing the physics of a system as a function of a…

The structure of solid oxygen has been studied at pressures from 50 to 140~GPa using static structure search methods and molecular dynamics simulations with density functional theory and a hybrid exchange functional. Several crystalline…

Modern semiconductor materials are increasingly used in multidisciplinary systems demonstrating cross-interactions between mechanical strains and electronic potentials, which gives rise to ubiquitous applications in high sensitivity,…

Recent trends of ab initio studies and progress in methodologies for electronic structure calculations of strongly correlated electron systems are discussed. The interest for developing efficient methods is motivated by recent discoveries…

$\mathrm{\beta}$-Gallium oxide ($\mathrm{\beta\mbox{-}Ga_{2}O_{3}}$) is an emerging widebandgap semiconductor for potential application in power and RF electronics applications. Initial theoretical calculation on a 2-dimensional electron…

We investigate a bi-layer scheme for circularly polarized infrared thermal radiation. Our approach takes advantage of the strong anisotropy of low-symmetry materials such as $\beta$-Ga$_2$O$_3$ and $\alpha$-MoO$_3$. We numerically report…

Two dimensional electron gases (2DEGs) formed at the interfaces of oxide heterostructures draw considerable interest owing to their unique physics and potential applications. Growing such heterostructures on conventional semiconductors has…

The presence of defects strongly influences semiconductor behavior. However, predicting the electronic properties of defective materials at finite temperatures remains computationally expensive even with density functional theory due to the…

The 3D ternary Li$_2$GeO$_3$ compound, which could serve as the electrolyte material in Li+-based batteries, exhibits an unusual lattice symmetry (orthorhombic crystal), band structure, charge density distribution and density of states. The…