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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…
Motivated by the unveiled complexity of nonmagnetic insulating behavior in pentavalent post-perovskite NaIrO$_3$, we have studied its electronic structure and phase diagram in the plane of Coulomb repulsive interaction and spin-orbit…
BaIrO3 is a magnetic insulator driven by the spin-orbit interaction (SOI), whereas BaRuO3 is a paramagnet and exhibits a crossover from a metallic to an insulating regime. Our investigation of structural, magnetic, transport and thermal…
Understanding of metal insulator transitions in a strongly correlated system, driven by Anderson localization (disorder) and/or Mott localization (correlation), is a long standing problem in condensed matter physics. The prevailing…
The insulating ground state of the 5d transition metal oxide CaIrO3 has been classified as a Mott-type insulator. Based on a systematic density functional theory (DFT) study with local, semilocal, and hybrid exchange-correlation…
CaRuO_3 is perovskite with an orthorhombic distortion and is believed to be close to magnetic ordering. Magnetic studies of single crystal and polycrystalline CaRu_{1-x}Cu_xO_3 (0\le x \le 15 at.%Cu) reveal that spin-glass-like transition…
Novel CaV1-xWxO3 (0.1 < x < 0.33) oxides with an orthorhombically distorted perovskite structure of GdFeO3 type have been synthesized. These compounds contain in B-position W+6 and V cations in an oxidation state between +4 (CaVO3) and +3…
I study the electronic structure and magnetism of postperovskite CaIrO$_3$ using first-principles calculations. The density functional calculations within the local density approximation without the combined effect of spin-orbit coupling…
The magnetic, electric and thermal properties of the ($Ln_{1-y}$Y$_{y}$)$_{0.7}$Ca$_{0.3}$CoO$_3$ perovskites ($Ln$~=~Pr, Nd) were investigated down to very low temperatures. The main attention was given to a peculiar metal-insulator…
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…
Many materials exhibit various types of phase transitions at different temperatures, with many also demonstrating polymorphism. Doping materials can significantly alter their conductivity. In light of this, we have investigated the…
We have synthesized and characterized laser-deposited film samples of perovskite BaCrO_{3}, a missing member of the perovskite-chromate family. The BaCrO_{3} films have a substantially larger lattice constant than other chromates, are…
In CaIrO3 electronic correlation, spin-orbit coupling, and tetragonal crystal field splitting are predicted to be of comparable strength. However, the nature of its ground state is still object of debate, with contradictory experimental and…
The Mott insulator LaVO$_3$ is known to become metallic if La is replaced by small concentrations of Ca. Since surface quasi-particle spectra of various perovskites are more strongly correlated than their bulk spectra, the coexistence of a…
V2O3 is the prototype system for the Mott transition, one of the most fundamental phenomena of electronic correlation. Temperature, doping or pressure induce a metal to insulator transition (MIT) between a paramagnetic metal (PM) and a…
The orthorhombic perovskite SrIrO3 is a semimetal, an intriguing exception in iridates where the strong spin-orbit interaction coupled with electron correlations tends to impose a novel insulating state. We report results of our…
Interaction-driven metal-insulator transitions or Mott transitions are widely observed in condensed-matter systems. In multi-orbital systems, many-body physics is richer in which an orbital-selective metal-insulator transition is an…
The electrical, magnetic, and structural properties of Sr$_3$(Ru$_{1-x}$Mn$_x$)$_2$O$_7$ (0 $\leq x \leq$ 0.2) are investigated. The parent compound Sr$_3$Ru$_2$O$_7$ is a paramagnetic metal, critically close to magnetic order. We have…
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…
The 5d5 iridate CaIrO3 is isostructural with the post-perovskite phase of MgSiO3, recently shown to occur under extreme pressure in the lower Earth's mantle. It therefore serves as an analogue of post-perovskite MgSiO3 for a wide variety of…