Related papers: Analysis of the optical conductivity for A2IrO3 (A…

By means of density functional theory (DFT) calculations (with and without inclusion of spin-orbit (SO) coupling) we present a detailed study of the electronic structure and corresponding microscopic Hamiltonian parameters of Na2IrO3. In…

Contrary to previous studies that classify Na2IrO3 as a realization of the Heisenberg-Kitaev model with dominant spin-orbit coupling, we show that this system represents a highly unusual case in which the electronic structure is dominated…

Na2IrO3 is an intriguing material for which spin-orbit coupling plays a key role. Theoretical predictions, so far unverified, have been made that the surface of Na2IrO3 should exhibit a clear signature of the quantum spin Hall effect. We…

We study Na2IrO3 by ARPES, optics, and band structure calculations in the local-density approximation (LDA). The weak dispersion of the Ir 5d-t2g manifold highlights the importance of structural distortions and spin-orbit coupling (SO) in…

We have calculated the optical spectra of Na$_{x}$CoO$_2$ for $x$=0.3, 0.5, and 0.7 within the LDA. We compare our results to available experimental data and show that the important features and trends are reproduced well, but there is a…

We study optical conductivity of a two-dimensional electron gas with anisotropic $k$-cubic Rashba spin-orbit interaction formed at the LaAlO$_3$/SrTiO$_3$ interface. The anisotropic spin splitting energy gives rise to different features of…

The three-dimensional ternary LiFeO2 compound presents various unusual essential properties. The main features are thoroughly explored by the density functional and many-body perturbation theory. The concise physical/chemical picture, the…

We investigate signatures of spin and orbital states of $R$VO$_{3}$ ($R$=Y and La) in the optical conductivity using density functional theory plus dynamical mean-field theory (DFT+DMFT). From the assignment of multiplet states to optical…

Spin orbit assisted Mott insulators such as sodium iridate (Na$_2$IrO$_3$) have been an important subject of study in the recent years. In these materials, the interplay of electronic correlations, spin-orbit coupling, crystal field effects…

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…

The anisotropy of low energy (0$\sim$5eV) optical excitations in strongly correlated transition-metal oxides is closely related to the spin and orbital orderings. The recent successes of LDA+$U$ method in describing the magnetic and…

Li2GeO3, a ternary electrolyte compound of Li+-based battery, presents the unusual essential properties. The main features are thoroughly explored from the first-principles calculations. The concise pictures, the critical orbital…

The optical/infrared properties of films of vanadium dioxide (VO2) and vanadium sesquioxide (V2O3) have been investigated via ellipsometry and near-normal incidence reflectance measurements from far infrared to ultraviolet frequencies.…

We present measurements of the optical spectra on Na$_{0.7}$CoO$_2$ single crystals. The optical conductivity shows two broad interband transition peaks at 1.6 eV and 3.2 eV, and a weak midinfrared peak at 0.4 eV. The intraband response of…

We perform first-principles calculations of electronic structure and optical properties for UO2 and PuO2 based on the density functional theory using the generalized gradient approximation (GGA)+\emph{U} scheme. The main features in…

We report that the surface conductivity of Na$_{2}$IrO$_3$ crystal is extremely tunable by high energy Ar plasma etching and can be tuned from insulating to metallic with increasing etching time. Temperature dependent electrical transport…

We study the optical properties of the layered rhodium oxide K0.49RhO2, which is isostructural to the thermoelectric material NaxCoO2. The optical conductivity shows broad interband transition peaks as well as a low-energy Drude-like…

We develop a computational approach for calculating the optical conductivity in the augmented plane wave basis set of Wien2K and apply it for thoroughly comparing the full dipole matrix element calculation and the Peierls approximation. The…

We consider the impact of orbital polarons in doped orbitally ordered systems on optical conductivity using the simplest generic model capturing the directional nature of either $t_{2g}$ (or $e_g$) orbital states in certain transition metal…

We have studied the transport properties of LaTiO3/SrTiO3 (LTO/STO) heterostructures. In spite of 2D growth observed in reflection high energy electron diffraction, Transmission Electron Microscopy images revealed that the samples tend to…