Related papers: Orbital ordering in the ferromagnetic insulator Cs…
We use density-functional theory with the local-density approximation to study the structural and ferroelectric properties of SrTiO$_3$ under misfit strains. Both the antiferrodistortive (AFD) and ferroelectric (FE) instabilities are…
The tetragonal heavy fermion compound CeRh2As2 has intriguing low temperature symmetry breaking phases whose nature is unclear. The unconventional superconducting phase is complemented by other normal state phases which presumably involve…
We have performed x-ray linear and circular magnetic dichroism experiments at the Mn L2,3-edge of the La0.7Sr0.3MnO3 ultra thin films. Our measurements show that the antiferromagnetic (AF) insulating phase is stabilized by the interfacial…
Including the orbital off-diagonal spin and charge condensates in the self consistent determination of magnetic order within a realistic three-orbital model for the $4d^4$ compound $\rm Ca_2 Ru O_4$, reveals a host of novel features…
In view of the recent experimental predictions of a weak structural transition in CoV$_{2}$O$_{4}$ we explore the possible orbital order states in its low temperature tetragonal phases from first principles density functional theory…
We investigate the phase diagram of the anisotropic spin-1/2 triangular lattice antiferromagnet, with interchain diagonal exchange J' much weaker than the intrachain exchange J. We find that fluctuations lead to a competition between…
Resonant x-ray diffraction performed at the $\rm L_{II}$ and $\rm L_{III}$ absorption edges of Ru has been used to investigate the magnetic and orbital ordering in Ca$_2$RuO$_4$ single crystals. A large resonant enhancement due to electric…
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…
Motivated by experimental and theoretical interest in realizing multipolar orders in $d$-orbital materials, we discuss the quantum magnetism of $J\!=\!2$ ions which can be realized in spin-orbit coupled oxides with $5d^2$ transition metal…
Strongly anisotropic spin-orbit coupling (SOC) renormalization and strongly enhanced orbital magnetic moments are obtained in the fully self consistent approach including the orbital off-diagonal spin and charge condensates. For moderate…
We analyzed the possible magnetic and orbital orderings of double perovskites, using a simple extension of the double exchange model well suited for these compounds. Orbital ordering is favored by the on site repulsion at the Fe ions. We…
Spinel Li$_x$Mn$_2$O$_4$ is a key cathode material that is used extensively in commercial Li-ion batteries. A challenge with this material has been that the capacity of the battery fades with cycling, an effect that can be traced to the…
The Berry phase due to the spin wavefunction gives rise to the orbital ferromagnetism and anomalous Hall effect in the non-coplanar antiferromagnetic ordered state on face centered cubic (fcc) lattice once the crystal is distorted…
Through detailed electronic structure simulations we show that the electronic orbital ordering (between d$_{yz}$ and d$_{xz}$ bands) takes place due to local breaking of in-plane symmetry that generates two non-equivalent $a$, $b$…
We investigate the effect of structural deformation on the magnetic properties of orthorhombic CePdAl$_3$ in relation to its tetragonal polymorph. Utilizing x-ray and neutron diffraction we establish that the crystal structure has the…
We investigate the stability of the multipolar orderings in $f$-electron material CeCoSi based on a self-consistent mean-field calculation for the effective localized model. This material has two ordered phases in the temperature-pressure…
We report on $^{75}$As-NMR measurements in single crystalline BaFe$_{2}$(As$_{0.96}$P$_{0.04}$)$_{2}$ for magnetic fields parallel to the orthorhombic $[110]_{\rm o}$ and $[100]_{\rm o}$ directions above the structural transition…
Motivated by recent experimental progress in transition metal oxides with the K$_2$NiF$_4$ structure, we investigate the magnetic and orbital ordering in $\alpha$-Sr$_2$CrO$_4$. Using first principles calculations, first we derive a…
In contrast to the previous reports that the divalent perovskite SrCrO$_3$ was believed to be cubic structure and nonmagnetic metal, recent measurements suggest coexistence of majority tetragonally distorted weak antiferromagnetic phase and…
By combining DFT-based computational analysis and symmetry constraints in terms of group-subgroup relations, we analysed the formation of the native crystalline structure of loellingite FeAs$_2$. We showed that the ground state of the…