Related papers: Structure-property relationships for weak-ferromag…
In this paper we present an analysis of the magnetic toroidal moment and its relation to the various structural modes in R3c-distorted perovskites with magnetic cations on either the perovskite A or B site. We evaluate the toroidal moment…
The quadruple perovskite CaMn$_7$O$_{12}$ is a topical multiferroic, in which the hierarchy of electronic correlations driving structural distortions, modulated magnetism, and orbital order is not well known and may vary with temperature.…
Controlling material properties by modulating the crystalline structure has been attempted using various techniques, e.g., hydrostatic pressure, chemical pressure, and epitaxy. These techniques succeed to improve properties and achieve…
CoSeO$_4$ has a structure consisting of edge-sharing chains of Co$^{2+}$ octahedra which are held together by SeO$_4^{2-}$ tetrahedra via shared oxygen atoms at the edges of the octahedra. DC magnetization measurements indicate a transition…
The electronic and magnetic properties of transition metal oxyhalide compound Co2TeO3Cl2 is investigated using first principle calculations within the framework of density functional theory. In order to find underlying spin lattice of this…
A new series of cubic double perovskites Ba$_2R_{2/3}$TeO$_6$ ($R$ = Y, La, Pr, Nd, Sm-Lu) was synthesized via solid state reaction. The $R^{3+}$ and Te$^{6+}$ ions are ordered on alternating octahedral sites, with the rare earth sites 2/3…
The temperature dependence of the optical and magnetic properties of CuO were examined by means of hybrid density functional theory calculations. Our work shows that the spin exchange interactions in CuO are neither fully one-dimensional…
Using first-principles density functional theory calculations, we discover an anomalously large bi-axial strain-induced octahedral rotation axis reorientation in orthorhombic perovskites with tendency towards rhombohedral symmetry. The…
Synthesis, thermodynamic properties, and microscopic magnetic model of ilinskite-type KCu$_{5}$O$_2$(SeO$_3$)$_2$Cl$_3$ built by corner-sharing Cu$_4$ tetrahedra are reported, and relevant magnetostructural correlations are discussed.…
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…
Investigation of magnetooptical characteristics of ferrofluids is an important task aimed at the development of novel optoelectronic systems. This article reports on the results obtained in the experimental studies of the factors that…
We report on the structural and magnetic characterization of Co0.1Zn0.9O and Mn0.1Zn0.9O nanopowders obtained by a soft chemistry route. We show that those samples fired at low temperatures display a ferromagnetic interaction that can not…
The 5$d$ series semimetallic Dirac nodal-line perovskite SrIrO$_3$ presents a promising system to study the interplay between spin-orbit coupling and electron-electron interactions in the epitaxial thin film geometry. The competition…
Density functional theory calculations have been performed for the structural, electronic, magnetic and ferroelectric properties of a mixed-valence Fe(II)-Fe(III) formate framework [NH$_2$(CH$_3$)$_2$][Fe$^{\rm III}$Fe$^{\rm II}$(HCOO)$_6$]…
We report on the structural evolution, spin phonon interactions, and magnetoelastic effects in bulk LaFeO3 perovskite across its antiferromagnetic transition. We found that while the lattice constants exhibit slight deviations at the Neel…
In this paper we report low-temperature magnetic properties of the rare-earth perovskite material YbAlO$_3$. Results of elastic and inelastic neutron scattering experiment, magnetization measurements along with the crystalline electrical…
Oxygen octahedral distortions including tilts/rotations, deformations and off-centering in (layered) perovskites play the key role in their numerous functional properties. At the polar-centrosymmetric phase boundary in bi-layered perovskite…
Multiferroicity and magnetodielectric coupling in metal-organic-frameworks (MOFs) is rare and so far restricted mainly to formate-based systems with perovskite structure. In the course of this work we designed a tetragonal framework…
We have developed first-principles models, based on a general parametrization of the full potential-energy surface, to investigate the lattice-dynamical properties of perovskite oxides. We discuss the application of our method to prototypic…
The thermodynamic properties of the ferromagnetic perovskite YTiO$_3$ are investigated by thermal expansion, magnetostriction, specific heat, and magnetization measurements. The low-temperature spin-wave contribution to the specific heat,…