Related papers: Orbital ordering in the layered perovskite materia…
Materials hosting flat bands at the vicinity of the Fermi level promote exotic symmetry broken states. Common to many of these are van Hove singularities at saddle points of the dispersion or even higher-order van Hove singularities where…
We report on THz time-domain spectroscopy on multiferroic GeV4S8, which undergoes orbital ordering at a Jahn-Teller transition at 30.5 K and exhibits antiferromagnetic order below 14.6 K. The THz experiments are complemented by dielectric…
The symmetry requirement and the origin of magnetic orders coexisting with superconductivity have been strongly debated issues of iron-based superconductors (FeSCs). Observation of C$_4$-symmetric antiferromagnetism in violation of the…
Electronic state and the Verwey transition in magnetite (Fe_3O_4) are studied using a spinless three-band Hubbard model for 3d electrons on the B sites with the Hartree-Fock approximation and the exact diagonalisation method.…
We present an unrestricted Hartree-Fock computation of charge-ordering instabilities of two-dimensional metals with antiferromagnetic exchange interactions, allowing for arbitrary ordering wavevectors and internal wavefunctions of the…
In conventional metals, electronic transport in a magnetic field is characterized by the motion of electrons along orbits on the Fermi surface, which usually causes an increase in the resistivity through averaging over velocities. Here we…
By using the arc-melting method, we successfully synthesized the compound Sc$_{0.5}$Zr$_{0.5}$Co with the space group of $Pm$-$3m$. Both the resistivity and magnetic susceptibility measurements reveal a phase transition at about 86 K. This…
We study Fermi liquid instabilities in spin-orbit-coupled metals with inversion symmetry. By introducing a canonical basis for the doubly degenerate Bloch bands in momentum space, we derive the general form of interaction functions. A…
We investigate rare-earth magnetic Weyl semimetals through first-principles simulations, analyzing the connection between incommensurate magnetic order and the presence of Weyl nodes in the electronic band structure. Focusing on PrAlSi,…
Iron telluride (FeTe), a relative of the iron based high temperature superconductors, displays unusual magnetic order and structural transitions. Here we explore the idea that strong correlations may play an important role in these…
Neutron inelastic scattering and diffraction techniques have been used to study the MnV2O4 spinel system. Our measurements show the existence of two transitions to long-range ordered ferrimagnetic states; the first collinear and the second…
Motivated by recent experimental evidence of charge order in the pseudogap phase of cuprates, we perform a variational analysis of charge-neutral, spin-singlet ordering in metals on the square lattice, using a wavefunction with double…
The strong boundary normalized condition of wavefunction for fully occupied semicore 3d orbitals leads the linear response DFT+U on such metal oxide to have an insurmountable obstacle in Hubbard U determination. We treated the orbital…
Effects of possible orbital order in magnetic properties of two-dimensional spin gap system for CaV$_4$O$_9$ are investigated theoretically. After analyzing experimental data, we show that single orbital models assumed in the literature are…
We present the results of electronic structure calculations for the two-dimensional ferromagnet Rb_2CrCl_4. They are obtained by the augmented spherical wave method as based on density functional theory and the local density approximation.…
We study thermodynamic properties of an antiferromagnetic Ising model on the inverse perovskite lattice by using Monte Carlo simulations. The lattice structure is composed of corner-sharing octahedra and contains three-dimensional…
The origin of the antiferromagnetic order and puzzling properties of LaTiO_3 as well as the magnetic phase diagram of the perovskite titanates are studied theoretically. We show that in LaTiO_3, the t_{2g} degeneracy is eventually lifted by…
The electronic structure and magnetism in the sodium nickelate NaNiO_2 in the low-temperature phase is studied from density-functional calculations using the linear muffin-tin orbitals method. An antiferromagnetic solution with a magnetic…
Compositionally tunable vanadium oxyhydrides Sr2VO4-xHx (x = 0 - 1) without considerable anion vacancy were synthesized by high-pressure solid state reaction. The crystal structures and their properties were characterized by powder neutron…
Using density functional theory calculations, ultrathin films of SrVO3(d1) and SrCrO3(d2) on SrTiO3 substrates have been studied as possible multiferroics. Although both are metallic in the bulk limit, they are found to be insulating as a…