相关论文: Composition-driven Mott transition within SrTi$_{\…

We study the doping driven Mott metal-insulator transition (MIT) in the periodic Anderson model set in the Mott-Hubbard regime. A striking asymmetry for electron or hole driven transitions is found. The electron doped MIT at larger U is…

We use density functional theory plus dynamical mean-field theory (DFT+DMFT) to study multiple control parameters for tuning the metal-insulator transition (MIT) in CaVO$_3$ thin films. We focus on separating the effects resulting from…

A powerful new impurity solver is shown to permit a systematic study of the doping driven Mott transition in a one-band Hubbard model within the framework of single-site dynamical mean field theory. At small dopings and large interaction…

The first-order metal-insulator transition (MIT) in paramagnetic $V_{2}O_{3}$ is studied within the ab-initio scheme LDA+DMFT, which merges the local density approximation (LDA) with dynamical mean field theory (DMFT). With a fixed value of…

Upon reduction of the film thickness we observe a metal-insulator transition in epitaxially stabilized, spin-orbit coupled SrIrO$_3$ ultrathin films. By comparison of the experimental electronic dispersions with density functional theory at…

Heterointerfaces in complex oxide systems open new arenas in which to test models of strongly correlated material, explore the role of dimensionality in metal-insulator-transitions (MITs) and small polaron formation. Close to the quantum…

The 5$d$ series semimetallic Dirac nodal-line perovskite SrIrO$_3$ presents a promising system to study the interplay between spin-orbit coupling and electron-electron interactions in the epitaxial thin film geometry. The competition…

A correlated material in the vicinity of an insulator-metal transition (IMT) exhibits rich phenomenology and variety of interesting phases. A common avenue to induce IMTs in Mott insulators is doping, which inevitably leads to disorder.…

We study the electronic structure, magnetic state, and phase stability of paramagnetic BiNiO$_3$ near a pressure-induced Mott insulator-to-metal transition (MIT) by employing a combination of density functional and dynamical mean-field…

Metal-insulator transitions (MITs) in correlated oxides offer immense potential for next-generation Mottronic devices. However, their integration into practical applications is often hindered by the coupling of MITs with symmetry-lowering…

We studied Sr2IrO4 and Sr3Ir2O7 using angle-resolved photoemission spectroscopy (ARPES), making direct experimental determinations of intra- and inter-cell coupling parameters as well as Mott correlations and gap sizes. The results are…

This study examines the application of transition metal-doped SrTiO3 in photovoltaic technologies, such as photocatalysis. The core objective is to evaluate how different dopants influence the structural and electronic characteristics of…

We investigate the influence of an unoccupied band on the transport properties of a strongly correlated electron system. For that purpose, additional orbitals are coupled to a Hubbard model via hybridization. The filling is one electron per…

We present a detailed account of the physics of Vanadium sesquioxide (${\rm V_2O_3}$), a benchmark system for studying correlation induced metal-insulator transition(s). Based on a detailed perusal of a wide range of experimental data, we…

Magnetic fluctuations in transition metal oxides are a subject of intensive research because of the key role they are expected to play in the transition from the Mott insulator to the unconventional metallic phase of these materials, and…

The lattice response of a prototype Mott insulator, SmTiO3, to hole doping is investigated with atomic-scale spatial resolution. SmTiO3 films are doped with Sr on the Sm site with concentrations that span the insulating and metallic sides…

Many metallic transition-metal oxides turn insulating when grown as films that are only a few unit-cells thick. The microscopic origins of these thickness induced metal-to-insulator transitions however remain under dispute. Here, we…

Oxygen vacancies are often attributed to changes in the electronic transport for perovskite oxide materials (ABO$_3$). Here, we use density functional theory (DFT) coupled with non-equilibrium Green's functions (NEGF) to systematically…

Motivated by recent Fermi surface and transport measurements on LaNiO3, we study the Mott Metal-Insulator transitions of perovskite nickelates, with the chemical formula RNiO3, where R is a rare-earth ion. We introduce and study a minimal…

Vanadium sesquioxide (V2O3) is an archetypal Mott insulator in which the atomic positions and electron correlations change as temperature, pressure or doping are varied giving rise to different structural, magnetic or electronic phase…