Related papers: Electronic Structure and Small Hole Polarons in YT…
YTiO3, as a prototypical Mott insulator, has been the subject of numerous experimental investigations of its electronic structure. The onset of absorption in optical conductivity measurements has generally been interpreted to be due to…
Optical and magneto-optical properties of YVO$_3$ single crystal were studied in FIR, visible, and UV regions. Two structural phase transitions at 75 K and 200 K were observed and established to be of the first and second order,…
We calculate the properties of the 4$d$ ferromagnet SrRuO$_3$ in bulk and thin film form with the aim of understanding the experimentally observed metal to insulator transition at reduced thickness. Although the spatial extent of the 4$d$…
Ti2O3 exhibits a unique metal-insulator transition (MIT) at approximately 450 K over a wide temperature range of ~ 150 K. This broad MIT accompanied by lattice deformation differs from the sharp MITs observed in most other transition-metal…
We report on the heteroepitaxial stabilization of YCrO3 ultra-thin films on LSAT (001) substrate. Using a combination of resonant X-ray absorption spectroscopy (XAS) and atomic multiplet cluster calculation, the electronic structure of…
In the Mott-Hubbard insulators YTiO3 and SmTiO3 we study optical excitations from the lower to the upper Hubbard band, d^1d^1 -> d^0d^2. The multi-peak structure observed in the optical conductivity reflects the multiplet structure of the…
We consider in our work high quality single crystal thin films of Bi2Se3, grown by molecular beam epitaxy, both with and without Pb doping. Our ARPES data demonstrate topological surface states with a Fermi level lying inside the bulk band…
The study of subtle effects on transport in semiconductors requires high-quality epitaxial structures with low defect density. Using hybrid molecular beam epitaxy (MBE), SrTiO$_3$ films with low-temperature mobility exceeding 42,000…
Observation of large non-saturating magnetoresistance in rare-earth monopnictides has raised enormous interest in understanding the role of its electronic structure. Here, by a combination of molecular-beam epitaxy, low-temperature…
Atomically thin transition metal dichalcogenide films with distorted trigonal (1T$^\prime$) phase have been predicted to be candidates for realizing quantum spin Hall effect. Growth of 1T$^\prime$ film and experimental investigation of its…
We investigate the vibrational, optical, and electronic properties of insulating YbN thin films using Raman spectroscopy, Fourier-transform infrared spectroscopy, and electrical transport measurements, supported by density functional…
Evidence from first-principles calculations indicates that excess electrons in BiFeO$_3$ form small polarons with energy levels deep inside the electronic band gap. Hence, $n$-type electronic transport could occur by hopping of small…
A transformation between the magnetically ordered CeCoGe$_3$ and heavy fermion CeFeGe$_3$ is isostructural but not isoelectronic, therefore the characterization of the electronic structure of the CeCo$_{1-x}$Fe$_x$Ge$_3$ series is of…
The electronic structure of the molecular compound (TTM-TTP)I_3, which exhibits a peculiar intra-molecular charge ordering, has been studied using multi-configuration ab initio calculations. First we derive an effective Hubbard-type model…
Non-collinear antiferromagnets, with either an L1$_{2}$ cubic crystal lattice (e.g. Mn$_{3}$Ir and Mn$_{3}$Pt) or a D0$_{19}$ hexagonal structure (e.g. Mn$_{3}$Sn and Mn$_{3}$Ge), exhibit a number of novel phenomena of interest to…
Oxide heterostructures allow for detailed studies of 2D electronic transport phenomena. Herein, different facets of magnetotransport in selected spin-orbit-coupled systems are analyzed and characterized by their single-band and multiband…
An important challenge in the field of topological materials is to carefully disentangle the electronic transport contribution of the topological surface states from that of the bulk. For Bi$_2$Te$_3$ topological insulator samples, bulk…
Electron transport properties of a topological insulator Bi$_2$Se$_3$ thin film are studied in Hall-bar geometry. The film with a thickness of 10 nm is grown by van der Waals epitaxy on fluorophlogopite mica and Hall-bar devices are…
High-entropy perovskite thin films, as the prototypical representative of the high-entropy oxides with novel electrical and magnetic features, have recently attracted great attention. Here, we reported the electronic structure and charge…
Present work provides extensive DFT study of TlReO4 using pseudopotential approach for understanding the structural and vibrational properties and full-potential linearized augmented plane wave method for electronic band structure and…