相关论文: Composition-driven Mott transition within SrTi$_{\…
Doping is an effective way to tune the property of metal oxides1-5, for achieving functional oxide electronics6-8. Previously we developed a controllable hydrogen doping technology at ambient conditions by use of electron-proton synergistic…
One way to induce insulator to metal transitions in the spin-orbit Mott insulator Sr2IrO4 is to substitute iridium with transition metals (Ru, Rh). However, this creates intriguing inhomogeneous metallic states, which cannot be described by…
Spin-orbit-coupled Mott iridates show great similarity with parent compounds of superconducting cuprates, attracting extensive research interests especially for their electron-doped states. However, previous experiments are largely limited…
A series of epitaxial (LaVO3)6m(SrVO3)m superlattices having the same nominal composition as La6/7Sr1/7VO3, a Mott-Hubbard insulator, were grown with pulsed-laser deposition on [001]-oriented SrTiO3 substrates, and their superlattice period…
Recent experiments have shown that transition metal oxide heterostructures such as SrTiO$_3$-based interfaces, exhibit large, gate tunable, spintronic responses. Our theoretical study showcases key factors controlling the magnitude of the…
Double perovskite oxides (DPOs) with two transition metal ions ($A_2$$BB^\prime$O$_6$) offer a fascinating platform for exploring exotic physics and practical applications. Studying these DPOs as ultrathin epitaxial thin films on single…
A combination of density functional and dynamical mean-field theory is applied to the perovskites SrVO$_3$, LaTiO$_3$ and LaVO$_3$. We show that DFT+DMFT in conjunction with the standard fully localized-limit (FLL) double-counting predicts…
We investigated the electronic structures of the perovskite-type 4$d$ transition metal oxides Sr$M$O$_3$ ($M$ = Zr, Mo, Ru, and Rh) using their optical conductivity spectra $\sigma (\omega)$. The interband transitions in $\sigma (\omega)$…
The double-exchange model for the Mn oxides with orbital degeneracy is studied with including on-site Coulomb repulsion, Jahn-Teller (J-T) coupling and doping-induced disorder. In the strong interaction limit, it is mapped onto a…
SrTiO$_{3}$ is an incipient ferroelectric and an exceptionally dilute superconductor with a dome-like dependence on carrier concentration. Stabilization of a polar phase through chemical substitution or strain significantly enhances the…
We investigate the nature and origin of the metal-insulator transition in Sr2Ru1-xTixO4 as a function of increasing Ti content (x). Employing detailed core, valence, and conduction band studies with x-ray and ultraviolet photoelectron…
Electron- and hole-doped La$_2$CoMnO$_6$(LCMO) are investigated using first principles DFT calculations. Hole and electron doping are achieved respectively by introducing Sr$^{2+}$ at La$^{3+}$ sites and by inducing O-site vacancies in…
The origin of the metal-to-insulator transition in RNiO3 perovskites with trivalent 4f ion has challenged the condensed matter research community for almost three decades. A drawback for progress in this direction has been the lack of…
An intricate interplay between superconductivity, pseudogap and Mott transition, either bandwidth driven or doping driven, occurs in materials. Layered organic conductors and cuprates offer two prime examples. We provide a unified…
By means of first-principles density-functional theory (DFT) calculations, we perform a comparative analysis of the electronic and magnetic properties of transition metal-doped TiO$_2$. The electronic band gaps of Ti$_x$M$_{1-x}$O$_2$,…
Strongly correlated materials often undergo a Mott metal-insulator transition, which is tipically first-order, as a function of control parameters like pressure. Upon doping, rich phase diagrams with competing instabilities are found. Yet,…
The metal-insulator transition (MIT) of VO2 is discussed with particular emphasis on the structural instability of the rutile compounds toward dimerization. Ti substitution experiments reveal that the MIT is robust up to 20% Ti…
We investigated the electronic structures of the 5$d$ Ruddlesden-Popper series Sr$_{n+1}$Ir$_{n}$O$_{3n+1}$ ($n$=1, 2, and $\infty$) using optical spectroscopy and first-principles calculations. As 5$d$ orbitals are spatially more extended…
The metal-insulator transition (MIT) in paramagnetic VO2 is studied within LDA+DMFT(IPT), which merges the local density approximation (LDA) with dynamical mean field theory (DMFT). With a fixed value of the Coulomb U=5.0eV, we show how the…
Perovskite structured transition metal oxides are important technological materials for catalysis and solid oxide fuel cell applications. Their functionality often depends on oxygen diffusivity and mobility through complex oxide…