相关论文: Metal-insulator transition and topological propert…

We have explored the critical metal-insulator phenomena for pyrochlore-type $R_2$Ir$_2$O$_7$, in which electron correlation strength and magnetic configuration are systematically controlled by varying the average rare-earth ionic radius…

We address the concomitant metal-insulator transition (MIT) and antiferromagnetic ordering in the novel pyrochlore iridate Eu2Ir2O7 by combining x-ray absorption spectroscopy, x-ray and neutron diffractions and density functional theory…

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…

In 5d transition metal oxides such as the iridates, novel properties arise from the interplay of electron correlations and spin-orbit interactions. We investigate the electronic structure of the pyrochlore iridates, (such as…

Using conceptually and procedurally consistent density functional theory (DFT) calculations with an advanced meta-GGA exchange-correlation functional in ab initio molecular dynamics simulations, we determine the insulator-metal transition…

A major challenge in condensed matter physics is integrating topological phenomena with correlated electron physics to leverage both types of states for next-generation quantum devices. Metal-insulator transitions (MITs) are central to…

We report on the evolution of the thermal metal-insulator transition in polycrystalline samples of Nd$_2$Ir$_2$O$_7$ upon hole-doping via substitution of Ca$^{2+}$ for Nd$^{3+}$. Ca substitution mediates a filling-controlled Mott-like…

We present results of combined density functional theory plus dynamical mean-field theory (DFT+DMFT) calculations, which show that the Mott insulator LaTiO3 undergoes an insulator-to-metal transition under compressive epitaxial strain of…

Correlated electrons in a binary alloy $A_{x}B_{1-x}$ are investigated within the Hubbard model and dynamical mean--field theory (DMFT). The random energies $\epsilon_{i}$ have a bimodal probability distribution and an energy separation…

We have studied the effect of pressure on the pyrochlore iridate Eu$_2$Ir$_2$O$_7$, which at ambient pressure has a thermally driven insulator to metal transition at $T_{MI}\sim120$\,K. As a function of pressure the insulating gap closes,…

We have investigated magneto-transport properties in a single crystal of pyrochore-type Nd2Ir2O7. The metallic conduction is observed on the antiferromagnetic domain walls of the all-in all-out type Ir-5d moment ordered insulating bulk…

We study structurally-triggered metal-insulator transition in CaCu$_3$Fe$_4$O$_{12}$ by means of local density approximation (LDA) +$U$ and LDA+dynamical mean-field theory (DMFT). The ferrimagnetic insulating phase is essentially the same…

We investigated the magnetoresistance (MR) effect of the pyrochlore oxide Nd2Ir2O7, which shows a metal-insulator transition at T_MI =33 K. A small positive MR effect was observed in the metallic state above T_MI, while a large negative MR…

Recent neutron scattering experiments on V2O3 show that the magnetic fluctuations on the metallic side of the antiferromagnetic metal-insulator transition are not related to the spin structure of the insulator, but rather to the…

In this Letter we report the first LDA+DMFT (method combining Local Density Approximation with Dynamical Mean-Field Theory) results of magnetic and spectral properties calculation for paramagnetic phases of FeO at ambient and high pressures…

The possible existence of topological insulators in cubic pyrochlore iridates A$_{2}$Ir$_{2}$O$_{7}$ (A = Y or rare-earth elements) is investigated by taking into account the strong spin-orbit coupling and trigonal crystal field effect. It…

Our single crystal study of the magneto-thermal and transport properties of the pyrochlore iridate Eu2Ir2O7 reveals a continuous phase transition from a paramagnetic metal to an antiferromagnetic insulator for a sample with stoichiometry…

We present a theoretical investigation of the electronic structure of rutile (metallic) and M$_1$ and M$_2$ monoclinic (insulating) phases of VO$_2$ employing a fully self-consistent combination of density functional theory and embedded…

The dynamical mean-field theory (DMFT) is employed to study the Mott transition in the semi-infinite Hubbard model at half-filling and zero temperature. We consider the low-index surfaces of the three-dimensional simple-cubic lattice and…

The pyrochlore Eu$_2$Ir$_2$O$_7$ has recently attracted significant attention as a candidate Weyl semimetal. The previous reports on this compound unanimously show a thermally induced metal to insulator (MI) transition, concomitant with…