Related papers: KAgF3: quasi-one-dimensional magnetism in three-di…
KCrF3 represents another prototypical orbital-ordered perovskite, where Cr2+ possesses the same electronic configuration of 3d4 as that of strongly Jahn-Teller distorted Mn3+ in many CMR manganites. The crystal and magnetic structures of…
We introduce an effective model for $e_g$ electrons to describe three-dimensional perovskite (La$_{1-x}$Sr$_{x}$MnO$_3$ and La$_{1-x}$Ca$_{x}$MnO$_3$) manganites and study the magnetic and orbital order on $4\times 4\times 4$ cluster using…
In perovskite-type compounds, the interplay of cooperative Jahn-Teller effect, electronic correlations and orbital degree of freedom leads to intriguing properties. $\mathrm{NaCrF_{3}}$ is a newly synthesized Jahn-Teller active…
The Jahn-Teller distortion and the resulting orbital order usually cause some fascinating correlated electronic behaviors, and generally lead to antiferromagnetism in perovskite bulks. Here we demonstrate that the Jahn-Teller distortion…
Theoretical DFT calculations using GGA+U and HSE06 frameworks enabled vibrational mode assignment and partial (atomic) phonon DOS determination in KAgF3 perovskite, a low-dimensional magnetic fluoroargentate(II). Twelve bands in the spectra…
We investigate the origin of the orbital ordering in the paramagnetic phase of KCrF$_3$. All previous studies described structural parameters of the paramagnetic phase using a magnetic ordering in the compound. Our simulations of real…
The 5d5 iridate CaIrO3 is isostructural with the post-perovskite phase of MgSiO3, recently shown to occur under extreme pressure in the lower Earth's mantle. It therefore serves as an analogue of post-perovskite MgSiO3 for a wide variety of…
The crystal structure of KAgF3 was studied by powder neutron diffraction. KAgF3 exhibits at all temperatures an orthorhombic symmetry in space group Pnma that allows for several distortions with respect to the ideal cubic perovskite…
The crystal and magnetic structures of the nitride antiperovskite Mn$_3$GeN reveals ferrimagnetic order stemming from a distorted kagome-derived lattice of the Mn atoms. Polycrystalline Mn$_3$GeN was synthesized via a solid-state reaction…
KAgF$_3$ is a quasi one-dimensional quantum antiferromagnet hosting a series of intriguing structural and magnetic transitions. Here we use powder neutron diffraction, $\mu$SR spectroscopy, and Density Functional Theory calculations to…
The electronic, magnetic and orbital structures of KCrF_3 are determined in all its recently identified crystallographic phases (cubic, tetragonal, and monoclinic) with a set of {\it ab initio} LSDA and LSDA+U calculations. The…
Muon spin relaxation measurements are reported on samples of dimethylammonium metal formates containing magnetic divalent nickel, cobalt, manganese, and copper ions. These hybrid organic-inorganic perovskites exhibit weak ferromagnetism and…
Compounds containing Ag$^{2+}$ ion with 4d$^9$ configuration will cause significant Jahn-Teller distortions and orbital ordering. Such orbital order is closely related to the magnetic coupling, according to Goodenough-Kanamori Ruels. Our…
Single crystals of electron-doped SrMnO3 with a cubic perovskite structure have been systematically investigated as the most canonical (orbital-degenerate) double-exchange system, whose ground states have been still theoretically…
A-site ordered perovskites, CaCu$_3$B$_4$O$_{12}$, which are derivatives of conventional ABO$_3$ perovskites, exhibit varying electronic and magnetic properties. With the objective of examining the role of Cu in this work, we have studied…
The orbital, lattice, and spin ordering phenomena in KCuF3 are investigated by means of LDA+U calculations, based on ab-initio pseudopotentials.We examine the Cu-3d orbital ordering and the associated Jahn-Teller distortion in several…
A ferromagnetic insulating (FM-I) state in Pr0.75Ca0.25MnO3 has been studied by neutron scattering experiment and theoretical calculation. The insulating behavior is robust against an external magnetic field, and is ascribed to neither the…
We study polycrystalline samples of KCu3As2O7(OH)3, a new candidate spin-1/2 kagome antiferromagnet, by magnetic susceptibility and heat capacity measurements above 2 K. The unique arrangement of the 3z2 - r2 and x2 - y2 orbitals on the…
We study from \textit{ab~initio} density functional theory calculations the structural and magnetic properties of the crystal KCoF$_3$. We found that the experimentally reported cubic to tetragonal phase transition is due to an electronic…
The spin-$\frac{1}{2}$ kagome antiferromagnet is an archetypal frustrated system predicted to host a variety of exotic magnetic states. We show using neutron scattering measurements that deuterated vesignieite…