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Strong spin-orbital coupling (SOC) was found previously to lead to dramatic effects in quantum materials, such as those found in topological insulators. It was shown theoretically that local noncentrosymmetricity resulting from the rotation…
The electronic properties of the polar interface between insulating oxides is a subject of great current interest. An exciting new development is the observation of robust magnetism at the interface of two non-magnetic materials LaAlO_3…
We report on the magnetocrystalline anisotropy energy (MAE) and spin reorientation in antiferromagnetic state of spin $S=1/2$ tetramer system SeCuO$_3$ observed in torque magnetometry measurements in magnetic fields $H<5$~T and simulated…
Two magnetic phase transitions have been noted for SrCoO$_{3-y}$ for near-stoichiometric oxygen concentrations (small y). Using muon spin rotation and neutron scattering experiments, we have established that the two transitions represent…
The electronic structure of the perovskite La$_{1-x}$Sr$_x$CoO$_3$ has been obtained as a function of Sr substitution and volume from a series of generalized-gradient-corrected, full-potential, spin-density-functional band structure…
We investigate the mechanism behind the breakdown of the compensation of large magnetic moments leading to weak ferromagnetism. For this we use first-principles calculations within density functional theory and we focus on the weak…
The electronic and magnetic properties of SrFeO$_{3-\delta}$ single crystals with controlled oxygen content ($0 \leq \delta \leq 0.19$) have been studied systematically by susceptibility, transport and spectroscopic techniques. An intimate…
Self-interaction corrected local spin density approximation calculations were performed for La$_{(1-x)}$Sr$_x$MnO$_3$ (LSMO) ($0.0<x<0.5$). The influence and inter-relationship of Sr doping, magnetic structure, O displacements and phase…
The electronic structure of epitaxial films on LaCoO3(LCO) has been studied within first principle electronic structure calculations. A spin state transition is found to take place as a function of lattice strain which freezes in the…
We study the electronic states of the magnetically ordered Mn3Pt alloy within the density functional theory. Mn3Pt has been believed that one third of Mn atoms have no magnetic moment in an antiferromagnetic phase (so-called the F-phase)…
We report on a 59Co NMR investigation of the trigonal cobaltate Ca3Co2O6 carried out on a single crystal, providing precise determinations of the electric field gradient and chemical shift tensors, and of the internal magnetic fields at the…
In order to establish the correlation between the magnetoelectric coupling and magnetic instability, we have studied the structural, magnetic, and ferroelectric properties of \textit{x}BaTiO${_3}$-(1-\textit{x})BiCoO${_3}$ as a function of…
The 5d iridium-based transition metal oxides have gained broad interest because of their strong spin-orbit coupling which favors new or exotic quantum electronic states. On the other hand, they rarely exhibit more mainstream orders like…
Ac and dc magnetization and heat-capacity (C) measurements performed on the pseudo-one-dimensional compound Sr$_3$CuIrO$_6$ reveal a competition between antiferromagnetic (AF) and ferromagnetic (F) exchange couplings, as evidenced by…
We characterize experimentally and theoretically the high-energy dielectric screening properties of the prototypical correlated metal SrVO$_3$. The dynamical structure factor measured by inelastic x-ray scattering spectroscopy as a function…
Using soft x-ray absorption spectroscopy and magnetic circular dichroism at the Co-$L_{2,3}$ edge we reveal that the spin state transition in LaCoO$_{3}$ can be well described by a low-spin ground state and a triply-degenerate high-spin…
LiOsO$_3$ is the first example of a new class of material called a ferroelectric metal. We performed zero-field and longitudinal-field $\mu$SR, along with a combination of electronic structure and dipole field calculations, to determine the…
We report on a study of the electronic and magnetic properties of the triangular antiferromagnetic $\{Cu_3\}$ single-molecule magnet, based on spin density functional theory. Our calculations show that the low-energy magnetic properties are…
Motivated by a collection of experimental results indicating the strongly correlated nature of the ferromagnetic metallic state of $CrO_{2}$, we present results based on a combination of the actual bandstructure [3] with dynamical…
Based on the density functional theory, we examine the origin of ferromagnetism in the Weyl semimetal Co$_3$Sn$_2$S$_2$ using different types of response theories. We argue that the magnetism of Co$_3$Sn$_2$S$_2$ has a dual nature and bears…