相关论文: Covalency-driven collapse of strong spin-orbit cou…
Rotations and distortions of oxygen octahedra in perovskites play a key role in determining their functional properties. Here we investigate how octahedral rotations can couple from one material to another in…
The electronic structure of the rational approximants 1/1 Cd6Yb and 1/1 Cd6Ca to the stable icosahedral CdYb and CdCa quasicrystals is studied by the full-potential linear augmented plane wave method. A comparison is made between several…
We study the modification of the electronic structure in the strong spin-orbit coupled Sr$_2$IrO$_4$ by epitaxial strain using density functional methods. Structural optimization shows that strain changes the internal structural parameters…
A resonant inelastic x-ray scattering study of the electronic structure of the semiconductor cuprous oxide, $\rm Cu_2O$, is reported. When the incident x-ray energy is tuned to the Cu K-absorption edge, large enhancements of the spectral…
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…
By combining 5d transition-metal oxides showing pronounced spin-orbit interactions and oxide-based heterostructures, we propose rutile-based IrO2/TiO2 superlattices as promising candidates for unconventional electronic properties. By means…
We address the concomitant metal-insulator transition (MIT) and antiferromagnetic ordering in the novel pyrochlore iridate Eu2Ir2O7 by combining x-ray absorption spectroscopy, x-ray and neutron diffractions and density functional theory…
We report structural studies of the spin-orbit Mott insulator family K$_x$Ir$_y$O$_2$, with triangular layers of edge-sharing IrO$_6$ octahedra bonded by potassium ions. The potassium content acts as a chemical tuning parameter to control…
We have investigated electronic structures of antiferromagnetic YBaCo_2O_5 using the local spin-density approximation (LSDA) + U method. The charge and orbital ordered insulating ground state is correctly obtained with the strong on-site…
Sr2IrO4 is a prototype of the class of Mott insulators in the strong spin-orbit interaction (SOI) limit described by a $J_{\mathrm{eff}}=1/2$ ground state. In Sr2IrO4, the strong SOI is predicted to manifest itself in the slaving of the…
Atomically thin MoS$_{2}$ crystals have been recognized as a quasi-2D semiconductor with remarkable physics properties. This letter reports our Raman scattering measurements on multilayer and monolayer MoS$_{2}$, especially in the…
The strongly correlated insulator Ca$_{2}$RuO$_4$ is considered as a paradigmatic realization of both spin-orbital physics and a band-Mott insulating phase, characterized by orbitally selective coexistence of a band and a Mott gap. We…
We report the structural and magnetic properties of the 4}\textit{\textcolor{black}{d }}\textcolor{black}{(M = Rh) based and 5}\textit{\textcolor{black}{d }}\textcolor{black}{(M = Ir) based systems Ba$_{3}$M$_{x}$Ti$_{3-x}$O$_{9}$…
We study topological states of matter in quasicrystals, which do not rely on crystalline orders. In the absence of a bandstructure description and spin-orbit coupling, we show that a three-dimensional quasicrystal can nevertheless form a…
We report on a member of the spin-disordered honeycomb lattice antiferromagnet in a quasi-one-dimensional cobaltate Ba_3Co_2O_6(CO_3)_0.7. Resistivity exhibits as semimetallic along the face-sharing CoO6 chains. Magnetic susceptibility…
The electronic structure of crystalline CdTe, CdO, $\alpha$-TeO$_2$, CdTeO$_3$ and Cd$_3$TeO$_6$ is studied by means of first principles calculations. The band structure, total and partial density of states, and charge densities are…
To leading order in displacement size, the scattering of electrons in a Cu-O plane from O displacements perpendicular to that plane is due to spin-orbit coupling. This scattering is investigated with the following results: (1) As a…
We present a survey of the structural and magnetic properties of submonolayer transition metal dioxides on the (001) surfaces of the heavy face-centered cubic (fcc) noble metals Ir and Pt performed by spin-averaged scanning tunneling…
In the two-dimensional electron gas (2DEG) emerging at the transition metal oxide surface and interface, it has been pointed out that the Rashba spin-orbit interaction, the momentum-dependent spin splitting due to broken inversion symmetry…
The crystal structure of the copper(II) tellurium(IV) oxochloride Cu$_{4}$Te$_{5}$O$_{12}$Cl$_{4}$ (Cu-45124) is composed of weakly coupled tetrahedral Cu clusters and shows crystallographic similarities with the intensively investigated…