Related papers: Relativistic effects in the electronic structure f…
A wide variety of experimental results and theoretical investigations in recent years have convincingly demonstrated that several transition metal oxides and other materials, have dominant states that are not spatially homogeneous. This…
The structural inversion asymmetry-induced spin-orbit interaction of conduction band electrons in zinc-blende and wurtzite semiconductor structures is analysed allowing for a three-dimensional (3D) character of the external electric field…
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…
The relativistic Rashba contribution to the spin-Hall effect in external electric and magnetic fields in Al and Pt was investigated. Schemes of edge accumulation of spins are proposed that take into account the flip of spins when they do…
We investigate the role of long range ferromagnetic order in the electronic structure of Sr$_{1-x}$Ca$_x$RuO$_3$ using high resolution photoemission spectroscopy. SrRuO$_3$ is a ferromagnetic metal but isostructural, isoelectronic CaRuO$_3$…
We present a systematical study on the roles of electron correlation and spin-orbit coupling in the isovalent Pd-doped superconductor SrPt$_3$P. By using solid state reaction method, we fabricated the strong spin-orbit coupling…
Rare-earth trihydrides ($R$H$_3$) exhibit intriguing coupled electronic and structural properties as a function of doping, hydrogen vacancies, and thermodynamic conditions. Theoretical studies of these materials typically rely on density…
While the effect of relativity in the electronic density has been widely studied, the effect on the pair probability, intracule, and extracule densities has not been studied before. Thus, in this work, we unveil new insights related to…
Magnetic properties of stechiometric YTiO3 has been calculated within the single-ion-based paradigm taking into account the low-symmetry crystal field and the intra-atomic spin-orbit coupling of the Ti3+ ion. Despite of the very simplified…
Effects of spin-orbit coupling and s-d exchange interaction are probed by magnetoresistance measurements carried out down to 50 mK on ZnO and Zn_{1-x}Mn_{x}O with x = 3 and 7%. The films were obtained by laser ablation and doped with Al to…
We investigate the interplay of spin-orbit coupling (SOC) and electronic correlations in Sr2RuO4 using dynamical mean-field theory. We find that SOC does not affect the correlation-induced renormalizations, which validates the Hund's metal…
We argue that the electronic structure considered in a Phys. Rev. Lett. paper 94 (2005) 146402 of the Co3+ ion in the CoO6 octahedron of NaxCoO2 is completely wrong. The presented Fig. 1 is redrawn here as Fig. 1. For physically adequate…
Spin-orbit coupling (SOC) describes the relativistic interaction between the spin and momentum degrees of freedom of electrons, and is central to the rich phenomena observed in condensed matter systems. In recent years, new phases of matter…
We address a systematic microscopic theory of spin-dependent electric polarization in 3d oxides starting with a generic three-site two-hole cluster. A perturbation scheme realistic for 3d oxides is applied which implies the quenching of…
Using density functional theory within the local spin density approximation, structural, electronic and magnetic properties of SRO are investigated. We examine the magnitude of the orthorhombic distortion in the ground state and also the…
It is argued that the V3+ ion in V2O3 should be considered as described by quantum numbers S=1 and L=3. It results from Hund's rules and means that the two d electrons form the highly- correlated electron system with the importance of the…
We present results of all-electron electronic structure calculations for the recently discovered d electron heavy fermion compound LiV_2O_4. The augmented spherical wave calculations are based on density functional theory within the local…
We investigate the interplay of the electronic and structural transition in La$_{0.2}$Sr$_{0.8}$MnO$_{3}$. The transport and specific heat measurements exhibit unusual evolutions and signature of a first order phase transition around 265 K.…
We analytically compute, in the first Born approximation for symmetric and asymmetric coplanar geometries, the triple differential cross sections for electron-impact ionization of hydrogen atom in the metastable 2S-state at both low and…
Electronic structures of MC where M is the alkali and alkaline earth metals with the rocksalt structure are calculated by full potential density functional codes. We find that the spin magnetic moment in the compounds is mainly contributed…