相关论文: Electron Correlation in Oxygen Vacancy in SrTiO$_3…
Oxygen vacancies in the perovskite insulator SrTiO$_3$ free electrons that couple with other physical degrees of freedom such as lattice, orbital, and spin. This leads to the emergence of exotic quantum states such as superconductivity and…
The stoichiometric antiferromagnetic insulator EuTiO$_3$ is proximate to a ferroelectric phase. Whereas cation substitution has been used as a tuning parameter to introduce charge carriers and manipulate the magnetism, the effects of…
The brownmillerite-type barium indate (Ba$_2$In$_2$O$_5$) is a potential electrolyte for mixed ionic-electronic conduction in solid oxide fuel cells. Revealing the defect chemistry of this material is key to understanding its ionic and…
As discovered by Ohtomo et al., a large sheet charge density with high mobility exists at the interface between SrTiO3 and LaAlO3. Based on transport, spectroscopic and oxygen-annealing experiments, we conclude that extrinsic defects in the…
We use density functional theory to calculate the structure, band-gap and magnetic properties of oxygen-deficient SrTi$_{1-x-y}$Fe$_x$Co$_y$O$_{3-\delta}$ with x = y = 0.125 and ${\delta}$ = (0,0.125,0.25). The valence and the high or low…
We demonstrate that SrTiO$_3$ can be a platform for observing the bulk odd-frequency superconducting state owing to the multiorbital/multiband nature. We consider a three-orbital tight-binding model for SrTiO$_3$ in the vicinity of a…
We present a theoretical study of the impact of oxygen diffusion in oxide crystals on metal dopants ionic state and the conduction type under thermal equilibrium. Oxygen vacancy formation acting as a shallow, double-electronic donor is…
It has been recently revealed that strontium titanate (SrTiO$_3$) displays persistent photoconductivity with unique characteristics: it occurs at room temperature and lasts over a very long period of time. Illumination of SrTiO$_3$ crystals…
Understanding the electronic charge distribution around oxygen vacancies in transition metal and rare earth oxides is a scientific challenge of considerable technological importance. We show how significant information about the charge…
We present a theoretical study of the impact of oxygen diffusion in oxide crystals on metal dopants ionic state and the conduction type under dynamic changes. The slow changes under thermal equilibrium are provided in a companion, Part I…
Distortions of the oxygen octahedra influence the fundamental electronic structure of perovskite oxides, such as their bandwidth and exchange interactions. Utilizing a fully ab-initio methodology based on density functional theory plus…
Understanding defect effect on carrier dynamics is essential for both fundamental physics and potential applications of transition metal dichalcogenides. Here, the phenomenon of oxygen impurities trapping photo-excited carriers has been…
This study of highly accelerated lifetime tests of SrTiO$_3$, a model semiconducting oxide, is motivated by the interest in reliable multilayer ceramic capacitors and resistance-switching thin-film devices. Our analytical solution to…
Metallic oxide SrVO3 represents a prototype system for the study of the mechanism behind thickness-induced metal-to-insulator transition (MIT) or crossover in thin films due to its simple cubic symmetry with one electron in the 3d state in…
We investigate correlation physics in high-density, two-dimensional electron liquids that reside in narrow SrTiO3 quantum wells. The quantum wells are remotely doped via an interfacial polar discontinuity and the three-dimensional (3D)…
We calculate the mobility of a two-dimensional electron gas residing at the interface of LaAlO$_{3}$/SrTiO$_{3}$ following a three band Boltzmann approach at low temperature, where carrier-charged impurity scattering process is assumed to…
Oxygen packaging in transition metal oxides determines the metal-oxygen hybridization and electronic occupation at metal orbitals. Strontium vanadate (SrVO$_3$), having a single electron in a $3d$ orbital, is thought to be the simplest…
Very accurate wave functions are calculated for small transition metal oxide molecules. These wave functions are decomposed using reduced density matrices to study the underlying correlation of electrons. The correlation is primarily of…
We investigated the unoccupied part of the electronic structure of the oxygen-deficient hafnium oxide (HfO$_{\sim1.8}$) using soft x-ray absorption spectroscopy at O $K$ and Hf $N_3$ edges. Band-tail states beneath the unoccupied Hf 5$d$…
Impurity $Fe^{3+}$ ion electron spin resonance (ESR) spectroscopy using multiple dielectric modes in a $SrTiO_3$ dielectric resonator has been performed with a tuneable DC magnetic field of up to $1.6~T$. The $Ti^{4+}(d^0)$ ion is…