Related papers: Interplay between O defects and SiC stacking at th…
Superconducting transition temperatures Tc of the YBCO film surface and of the YBCO film/substrate interface were measured inductively. It was observed that the interface- Tc is always higher then the surface - Tc. However deposition of…
Silicon Carbide (SiC) is a wide bandgap semiconductor material recently being used in replacement of traditional semiconductors for high-voltage power device applications. Radiation environments induce defects through displacement damage in…
We present ab-initio electronic structure calculations for the Si-terminated SiC(0001)$\sqrt{3}\times\sqrt{3}$ surface. While local density approximation (LDA) calculations predict a metallic ground state with a half-filled narrow band,…
The Anode Hydrogen Release (AHR) mechanism at interfaces is responsible for the generation of defects, that traps charge carriers and can induce dielectric breakdown in Metal-Oxide-Semiconductor Field Effect Transistors. The AHR has been…
Single-Dirac-cone topological insulators (TI) are the first experimentally discovered class of three dimensional topologically ordered electronic systems, and feature robust, massless spin-helical conducting surface states that appear at…
The study of exotic superconductivity in two dimensions has been a central theme in solid state and materials research communities. Experimentally exploring and identifying new fascinating interface superconductors with a high transition…
Modifications of the electronic bands of thin FeSe films due to oxygen vacancies in the supporting SrTiO 3 (001) substrate - and the interplay with spin-orbit coupling, magnetism, and epitaxy - are investigated by first-principles supercell…
We studied the influence of defect states on the laser excitation process in silicon using time-dependent density functional theory. We assumed two types of point defects: interstitial oxygen and silicon vacancies. We found that the…
Polar discontinuities occurring at interfaces between two different materials constitute both a challenge and an opportunity in the study and application of a variety of devices. In order to cure the large electric field occurring in such…
The growth of a U3O7 oxide layer during the anionic oxidation of UO2 pellets induced very important mechanical stresses due to the crystallographic lattice parameters differences between UO2 and its oxide. These stresses, combined with the…
Electronic functionalities in materials from silicon to transition metal oxides are to a large extent controlled by defects and their relative arrangement. Outstanding examples are the oxides of copper, where defect order is correlated with…
Interfaces can differ from their parent compounds in terms of charge, spin, and orbital orders and are fertile ground for emergent phenomena, strongly correlated physics, and device applications. Here, we discover that ferroelectric order…
We study the charge state of the diffusing O$_2$ molecule during silicon oxidation through hybrid functional calculations. We calculate charge transition levels of O$_2$ in bulk SiO$_2$ and use theoretical band offsets to align these levels…
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…
We investigate the adsorption of a Ni monolayer on the $\beta$-SiC(001) surface by means of highly precise first-principles all-electron FLAPW calculations. Total energy calculations for the Si- and C-terminated surfaces reveal high Ni-SiC…
Oxygen vacancies are increasingly recognized to play a role in phenomena observed at transition-metal oxide interfaces. Here we report a study of SrRuO3/La0.7Sr0.3MnO3 (SRO/LSMO) interfaces using a combination of quantitative…
Emergent phases in the two-dimensional electron gas (2DEG) formed at the interface between two insulating oxides have attracted great attention in the past decade. We present ab-initio electronic structure calculations for the interface…
The transport of H adatoms across oxide supports plays an important role in many catalytic reactions. We investigate the dynamics of H/Fe3O4(001) between 295 and 382 K. By scanning tunneling microscopy at frame rates of up to 19.6 fps, we…
In two-dimensional (2D) superconductors an insulating state can be induced either by applying a magnetic field, $H$, or by increasing disorder. Many scenarios have been put forth to explain the superconductor to insulator transition (SIT):…
The formation of graphene on the SiC(000-1) surface (the C-face of the {0001} surfaces) has been studied, utilizing both disilane and neon environments. In both cases, the interface between the graphene and the SiC is found to be different…