Related papers: Electronic structure and phase transition in polar…
Hexagonal LuFeO$_3$ has drawn a lot of research attention due to its contentious room-temperature multiferroicity. Due to the unstability of hexagonal phase in the bulk form, most experimental studies focused on LuFeO$_3$ thin films which…
The 3d electronic structure and phase transition in pure and Cr doped V2O3 are theoretically investigated in relation to the 3d spin-orbit interaction and lattice distortion. A model consisting of the nearest-neighbor V ion pair with full…
Polar materials can host a variety of topologically significant magnetic phases, which often emerge from a modulated magnetic ground state. Relatively few noncentrosymmetric tetragonal materials have been shown to host topological spin…
We use neutron scattering to study the spin and lattice structures of single crystal and powder samples of Na$_{1-\delta}$FeAs ($T_c = 23$ K). On cooling from room temperature, the system goes through a series of phase transitions: first…
Using first-principles calculations, we analyze the structural properties of tungsten trioxide WO3 . Our calculations rely on density functional theory and the use of the B1-WC hybrid functional, which provides very good agreement with…
In the present paper electronic, magnetic, and structural properties of a novel system FeZnMo$_3$O$_8$ with a polar crystal structure are investigated using GGA+U calculations. It is shown that Fe ions preferably occupy octahedral and Zn…
We review the phenomenology of coupled magnetic and electric order parameters for systems in which ferroelectric and incommensurate magnetic order occur simultaneously. We discuss the role that such materials might play in fabricating novel…
$Ab$ $initio$ calculations show the presence of a strong magnetoelectric interfacial coupling in CaMnO$_3$ ultra-thin film grown on a strained BaTiO$_3$ ferroelectric film. This heterostructure presents a polarization driven magnetic…
Two magnetic ordering transitions are found in InMnO3, the paramagnetic to antiferromagnetic transition near ~118 K and a lower possible spin rotation transition near ~42 K. Multiple length scale structural measurements reveal enhanced…
For the spin-3/2 kagome staircase system Co3V2O8, magnetic field (H)-temperature (T) phase diagrams have been constructed for the fields along three principal directions up to 5 T, using results of various macroscopic measurements on single…
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)…
The electronic and magnetic properties of TbMnO3 leading to its ferroelectric (FE) polarization were investigated on the basis of relativistic density functional theory (DFT) calculations. In agreement with experiment, we show that the…
We derive a spin-orbital model for insulating LaMnO_3 which fulfills the SU(2) symmetry of S=2 spins at Mn^{3+} ions. It includes the complete e_g and t_{2g} superexchange which follows from a realistic Mn^{2+} multiplet structure in cubic…
At room temperature, GdMnO3 is a paraelectric and paramagnetic with a distorted perovskite structure of orthorhombic symmetry (space group Pnma). On cooling, it undergoes a phase transition sequence to a magnetic incommensurate phase…
Raman scattering measurements on BiFeO3 single crystals show an important coupling between the magnetic order and lattice vibrations. The temperature evolution of phonons shows that the lowest energy E and A1 phonon modes are coupled to the…
The candidate magnetoelectric Pb3Mn7O15 has a structure consisting of 1/3 filled Kagome layers linked by ribbons of edge-sharing octahedra in the stacking direction. Previous reports have indicated a complex hexagonal-orthorhombic…
Through advanced experimental techniques on CrI$_{3}$ single crystals, we derive a previously not discussed pressure-temperature phase diagram. We find that $T_{c}$ increases to $\sim$ 66\,K with pressure up to $\sim$ 3\,GPa followed by a…
Neutron diffraction experiments of TmFeO$_3$ single crystals were performed in the external magnetic fields. The field along $c$-axis increases temperature of spin-reorientation transition $T_{SR}$ from phase ${\Gamma}4$ to ${\Gamma}2$.…
Insulating helimagnetic Cu2OSeO3 shows sizeable magnetoelectric effects in its skyrmion phase. Using magnetization measurements, magneto-current analysis and dielectric spectroscopy, we provide a thorough investigation of magnetoelectric…
We propose a first-principles formulism for system with spin fluctuations and apply it to the ordered Fe3Pt to uncover the Invar anomalies, including negative thermal expansion and spontaneous magnetization. The theory has coherently…