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The structural, magnetic, and electronic properties of (STO)$_4$/(YTO)$_2$ superlattice consisting of Mott insulator YTiO$_3$ (YTO) and band insulator SrTiO$_3$ (STO) under strain are investigated by the density-functional-theory plus…
Ruthenium-based perovskite systems are attractive because their Structural, electronic and magnetic properties can be systematically engineered. SrRuO$_3$/SrTiO$_3$ superlattice, with its period consisting of one unit cell each, is very…
Motivated by an experimental report of iridate superlattices, we performed first-principle electronic structure calculations for SrIrO$_3$/SrTiO$_3$. Heterostructuring causes SrIrO$_3$ to become Sr$_2$IrO$_4$-like, and the system has the…
Novel interplay of spin-orbit coupling and electron correlations in complex Ir oxides recently emerged as a new paradigm for correlated electron physics. Because of a large spin-orbit coupling of ~0.5 eV, which is comparable to the transfer…
The three-dimensional spin-1 Ising superlattice consisting of two different ferromagnetic materials with two different crystal fields $\Delta_1$ and $\Delta_2$ is considered in the mean field approximation. The phase diagrams are considered…
The density functional plus U method is used to obtain the electronic structure, lattice relaxation and metal-insulator phase diagram of superlattices consisting of $m$ layers of Gadolinium Titanate (GdTiO$_{3}$) alternating with $n$ layers…
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…
We have systematically investigated substrate-strain effects on the electronic structures of two representative Sr-iridates, a correlated-insulator Sr$_2$IrO$_4$ and a metal SrIrO$_3$. Optical conductivities obtained by the \emph{ab initio}…
The kagome metals AV$_{3}$Sb$_{5}$ (A = K, Rb, Cs) provide a unique platform to investigate the physics of interacting electrons, a central challenge in condensed matter physics. A key obstacle in unraveling their correlated behavior is to…
We investigated the electronic properties of epitaxially stabilized perovskite SrIrO3 and demonstrated the effective strain-control on its electronic structure. Comprehensive transport measurements showed that the strong spin-orbit coupling…
Layered ruthenates are a unique class of systems which manifests a variety of electronic and magnetic features emerged from competing energy scales. At the heart of such features lies the multi-orbital physics, especially, the…
At a temperature of roughly 1\,K, \ce{Sr2RuO4} undergoes a transition from a normal Fermi liquid to a superconducting phase. Even while the former is relatively simple and well understood, the superconducting state is not even after 25…
First-principles density functional calculations show that the $\textrm{SrRuO}_{3}/\textrm{PbTiO}_{3}/\textrm{SrRuO}_{3}$ multiferroic junction with asymmetric (RuO$_{2}$/PbO and TiO$_{2}$/SrO) interfaces has a large ferroelectric…
The 3d electronic structure and phase transition in pure and Cr doped V2O3 are theoretically investigated in relation to the 3d spin-orbit interaction and lattice distortion. A model consisting of the nearest-neighbor V ion pair with full…
We study a model of strongly interacting spinless fermions on an anisotropic triangular lattice. At half-filling and the limit of strong repulsive nearest-neighbor interactions, the fermions align in stripes and form an insulating state.…
Controlling spin-orbit interaction and its effect on superconductivity has been a long-standing problem in two-dimensional inversion symmetry broken superconductors. An open challenge is to understand the role of various energy scales in…
We report first-principles calculations, within the density functional theory, on the structural and energetic properties of 180$^\circ$ stripe domains in (PbTiO$_{3}$)$_{n}$/(SrTiO$_{3}$)$_{n}$ superlattices. For the explored periodicities…
Several new features arise in the ground-state phase diagram of a spin-1 condensate trapped in an optical trap when the magnetic dipole interaction between the atoms is taken into account along with confinement and spin precession. The…
Novel phases of two dimensional electron systems resulting from new surface or interface modified electronic structures have generated significant interest in material science. We utilize photoemission spectroscopy to show that the…
We use a slave-rotor approach within a mean-field theory to study the competition of metallic, Mott-insulating, and superconducting phases of spin-3/2 fermions subjected to a periodic optical lattice potential. In addition to the metallic,…