相关论文: Oxygen vacancy induced electronic structure modifi…
The interface between the insulators LaAlO$_3$ and SrTiO$_3$ accommodates a two-dimensional electron liquid (2DEL) -- a high mobility electron system exhibiting superconductivity as well as indications of magnetism and correlations. While…
Complex oxide functionality, such as ferroelectricity, magnetism or superconductivity is often achieved in epitaxial thin-film geometries. Oxygen vacancies tend to be the dominant type of defect in these materials but a fundamental…
The optoelectronic properties induced by oxygen vacancy defects in MgO(111) monolayers have been studied using hybrid level of DFT method. HSE calculations shows significant reduction in electronic band gap of MgO monolayer as a result of…
For certain conditions of layer thickness, the interface between GdTiO$_3$ (GTO) and SrTiO$_3$ (STO) in multilayer samples has been found to form a two-dimensional electron gas (2DEG) with very interesting properties including high…
Obtaining an accurate theoretical description of the emergent phenomena in oxide heterostructures is a major challenge. Recently, intriguing paramagnetic spin and pinned orbital moments have been discovered by x-ray magnetic circular…
The interface between the polar LaAlO$_3$ and nonpolar SrTiO$_3$ layers has been shown to exhibit various electronic and magnetic phases such as two dimensional electron gas, superconductivity, magnetism and electronic phase separation.…
Enhanced conductivity at ferroelectric domain walls in BiFeO$_3$ has been widely observed, yet the microscopic origins of this effect, including electronic contributions from domain-wall defects, are incompletely understood at the atomistic…
Rutile ($R$) phase VO$_2$ is a quintessential example of a strongly correlated bad-metal, which undergoes a metal-insulator transition (MIT) concomitant with a structural transition to a V-V dimerized monoclinic phase below T$_{MIT} \sim…
Employing a first-principles and model Hamiltonian approach, we work out the electronic properties of polar-polar LaVO$_3$/KTaO$_3$ (LVO/KTO, 001) heterostrctures, with up to six layers of KTO and five layers of LVO. Our analyses indicate…
Two dimensional electron gases (2DEGs) at a oxide heterostructures are attracting considerable attention, as these might substitute conventional semiconductors for novel electronic devices [1]. Here we present a minimal set-up for such a…
LaAlO3/SrTiO3 structures showing high mobility conduction have recently aroused large expectations as they might represent a major step towards the conception of all-oxide electronics devices. For the development of these technological…
After almost twenty years of intense work on the celebrated LaAlO3/SrTiO3 system, the recent discovery of a superconducting two-dimensional electron gases (2-DEG) in (111)-oriented KTaO3-based heterostructures injects new momentum to the…
The electronic structure of crystalline CdTe, CdO, $\alpha$-TeO$_2$, CdTeO$_3$ and Cd$_3$TeO$_6$ is studied by means of first principles calculations. The band structure, total and partial density of states, and charge densities are…
The versatility of properties displayed by two-dimensional electron gases (2DEGs) at oxide interfaces has fostered intense research in hope of achieving exotic electromagnetic effects in confined systems. Of particular interest is the…
Dislocation engineering has the potential to open new avenues toward the exploration and modification of the properties of quantum materials. Strontium titanate (SrTiO3, STO) and potassium tantalate (KTaO3, KTO) are incipient ferroelectrics…
The quasiparticle band structures of nonmagnetic monoxides, MO (M=Mg, Ca, Ti, and V), are calculated by the GW approximation. The band gap and the width of occupied oxygen 2p states in insulating MgO and CaO agree with experimental…
Two-dimensional (2D) materials exhibit a wide range of remarkable phenomena, many of which owe their existence to the relativistic spin-orbit coupling (SOC) effects. To understand and predict properties of materials containing heavy…
The field-effect-induced modulation of transport properties of 2-dimensional electron gases residing at the LaAlO$_3$/SrTiO$_3$ and LaGaO$_3$/SrTiO$_3$ interfaces has been investigated in a back-gate configuration. Both samples with…
The recent observation of superconductivity at the interfaces between KTaO3 and EuO (or LaAlO3) offers a new example of emergent phenomena at oxide interfaces. This superconductivity exhibits an unusual strong dependence on the crystalline…
Electronic phase separation (EPS) originates from an incomplete transformation between electronic phases, causing the inhomogeneous spatial distribution of electronic properties. In the system of two-dimensional electron gas (2DEG), the EPS…