Related papers: Electronic structure of BaIrO3: A first principle …
Using thermodynamic measurements, neutron diffraction, nuclear magnetic resonance, and muon spin relaxation, we establish putative quantum spin-liquid behavior in Ba$_3$InIr$_2$O$_9$, where unpaired electrons are localized on mixed-valence…
We present a combined experimental and theoretical investigation of the spin dynamics in the iron-based superconductor Ba$_{0.75}$K$_{0.25}$Fe$_2$As$_2$. Time-of-flight inelastic neutron scattering measurements reveal the three-dimensional…
We employ a combination of the \emph{ab initio} band structure methods and dynamical mean-field theory to determine the electronic structure and phase stability of paramagnetic FeO at high pressure and temperature. Our results reveal a…
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…
In this study, we systematically investigate 3D momentum($\hbar k$)-resolved electronic structures of Ruddlesden-Popper-type iridium oxides Sr$_{n+1}$Ir$_n$O$_{3n+1}$ using soft-x-ray (SX) angle-resolved photoemission spectroscopy (ARPES).…
Using spin- and angle-resolved spectroscopy and relativistic many-body calculations, we investigate the evolution of the electronic structure of (Bi$_{1-x}$In$_x$)$_2$Se$_3$ bulk single crystals around the critical point of the trivial to…
Ferromagnetic van der Waals (vdW) insulators are of great scientific interest for their promising applications in spintronics. It has been indicated that in the two materials within this class, CrI$_3$ and VI$_3$, the magnetic ground state,…
By calculating the spectral density of states in the ferromagnetic (FM) ground state and in the high temperature paramagnetic (PM) phase we provide the first concise study of finite temperature effects on the electronic structure of the…
We report on the physical properties of single crystalline EuRhSi$_3$ and polycrystalline EuIrSi$_3$, inferred from magnetisation, electrical transport, heat capacity and $^{151}$Eu M\"ossbauer spectroscopy. These previously known compounds…
The double perovskite Ba$_{2}$NaOsO$_{6}$ (BNOO), an exotic example of a very high oxidation state (heptavalent) osmium $d^1$ compound and also uncommon by being a ferromagnetic Mott insulator without Jahn-Teller (JT) distortion, is modeled…
The thermodynamic properties of the bilayer Sr$_3$Ru$_2$O$_7$ at very low temperatures are investigated by a realistic tight-binding model with the on-site interactions treated at the mean-field level. Due to the strong spin-orbit coupling,…
Photoemission spectroscopy is a powerful technique for studying electronic structure and spin-state transitions, as it reveals changes in the orbital configuration accompanying a spin-state crossover. In this report, we combine…
By using bulk magnetization, electron spin resonance (ESR), heat capacity, and neutron scattering techniques, we characterize the thermodynamic and quantum phase diagrams of Ba$_3$Cr$_2$O$_8$. Our ESR measurements indicate that the low…
BaRuO3 having five different crystal structures has been synthesized by varying the pressure while sintering. Contrary to the other phases being nonmagnetic, the cubic perovskite phase synthesized recently shows an itinerant ferromagnetic…
We study the properties of ThCr$_2$Si$_2$ structure BaMn$_2$As$_2$ and BaMn$_2$Sb$_2$ using density functional calculations of the electronic and magnetic as well experimental measurements on single crystal samples of BaMn$_2$As$_2$. These…
It has been recently demonstrated that the magnetic state of FeRh can be controlled by electric fields in FeRh/BaTiO$_{\text{3}}$ heterostructures [R.O. Cherifi et al. Nature Mater. 13, 345 (2014)]. Voltage-controlled changes in the…
We argue that in LaCoO3 exists the fine electronic structure associated with the atomic-like states of the Co3+ ions and caused by the crystal-field and intra-atomic spin-orbit interactions. This low-energy fine electronic structure has to…
The exploration of magnetism in two-dimensional layered materials has attracted extensive research interest. For the monoclinic phase CrI3 with interlayer antiferromagnetism, finding a static and robust way of realizing the intrinsic…
The electronic structures of supercells of CeO$_{2-\delta}$ have been calculated within the Density Functional Theory (DFT). The equilibrium properties such as lattice constants, bulk moduli and magnetic moments are well reproduced by the…
We have carried out a detailed first-principles study of a d$^{4.5}$ quaternary iridate Ba$_3$YIr$_2$O$_9$ both in its 6H-perovskite-type ambient pressure (AP) phase and also for the high pressure (HP) cubic phase. Our analysis reveals that…