相关论文: Electron-vacancy scattering in SrNbO$_3$ and SrTiO…
The question whether excess electrons in SrTiO3 form free or trapped carriers is a crucial aspect for the electronic properties of this important material. This fundamental ambiguity prevents a consistent interpretation of the puzzling…
We present a first-principles investigation of structural and elastic properties of experimentally observed phases of bulk SrRuO$_3$ - namely orthorhombic, tetragonal, and cubic - by applying density functional theory (DFT) approximations.…
BaSnO_{3}, a high mobility perovskite oxide, is an attractive material for oxide-based electronic devices. However, in addition to low-field mobility, high-field transport properties such as the saturation velocity of carriers play a major…
Using angle-resolved photoemission spectroscopy, we show that the recently-discovered surface state on SrTiO$_{3}$ consists of non-degenerate $t_{2g}$ states with different dimensional characters. While the $d_{xy}$ bands have quasi-2D…
Supercapacitors have recently gained popularity as possible energy storage systems due to their high cycling ability and increased power density. However, one of the major drawbacks of supercapacitors is that they have a low energy density,…
In this paper we investigate the electronic and superconducting properties in nickelate compounds of NiO2 through Perturbative Density Functional Theory (P-DFT) and multi-band BCS theory. We consider three different cases of study (i) the…
The spinel/perovskite heterointerface $\gamma$-Al$_2$O$_3$/SrTiO$_3$ hosts a two-dimensional electron system (2DES) with electron mobilities exceeding those in its all-perovskite counterpart LaAlO$_3$/SrTiO$_3$ by more than an order of…
Electronic properties and atomic structures of W, N, S, W/N, and W/S dopings of anatase TiO_2 have been systematically investigated using the density functional theory (DFT). The exchange and correlation effects have been treated with Heyd,…
Oxygen vacancies are a common source of excess electrons in complex oxides. In Mott insulators these additional electrons can induce a metal-insulator transition (MIT), fundamentally altering the electronic properties of the system. Here we…
The optical conductivity ($\sigma_{1}$) of SrTiO$_{3}$ for various vacancies has been systematically studied using a combination of ultraviolet - vacuum ultraviolet (UV-VUV) reflectivity and spectroscopic ellipsometry. For cation (Ti)…
We review experimental and theoretical cross sections for electron scattering in nitric oxide (NO) and form a comprehensive set of plausible cross sections. To assess the accuracy and self-consistency of our set, we also review electron…
The alloying of the group-III transparent semiconducting sesquioxides In$_2$O$_3$ and Ga$_2$O$_3$ can lead to a modulation of the properties of the parent compounds, e.g., the shallow- and deep-donor character of the oxygen vacancy or the…
Electronic transport near the insulator-metal transition is investigated in the molecular beam epitaxy-grown SrTiO3/Nd1-xTiO3/SrTiO3 heterostructures using temperature dependent magnetotransport measurements. It was found that Nd-vacancies…
In this report, the optical properties of Ta doped SrTiO3 (STO) due to its potential in transparent conducting oxides (TCOs) is explored by a combination of theoretical studies based on density functional theory and spectroscopic…
Recently, it was established that a two-dimensional electron system can arise at the interface between two oxide insulators LaAlO3 and SrTiO3. This paradigmatic example exhibits metallic behaviour and magnetic properties between…
The spin-orbit coupling and electron correlation in perovskite SrIrO3 (SIO) strongly favor new quantum states and make SIO very attractive for next generation quantum information technology. In addition, the small electronic band-width…
First-principles calculations to study the electronic and magnetic properties of bulk, oxygen-deficient SrTiO$_3$ (STO) under different doping conditions and densities have been conducted. The appearance of magnetism in oxygen-deficient STO…
We report the electron doping in the surface vicinity of KTaO_3 by inducing oxygen-vacancies via Ar^+ -irradiation. The doped electrons have high mobility (> 10^4 cm^2/Vs) at low temperatures, and exhibit Shubnikov-de Haas oscillations with…
Electron transport and quantum conductance through an armchair graphene and its oxidized graphene- containing form were investigated by the density functional theory (DFT) method and the implementation of the non-equilibrium Green function…
Rare-earth nickelates R$^{3+}$Ni$^{3+}$O$_3$ (R=Lu-Pr, Y) show a striking metal-insulator transition in their bulk phase whose temperature can be tuned by the rare-earth radius. These compounds are also the parent phases of the newly…