Related papers: Spin-state transition and spin-polaron physics in …
We study the effects of the degeneracy of the $e_g$ orbitals as well as the double exchange interaction with $t_{2g}$ spins in perovskite transition-metal oxides. In addition to the spin field ${\vec S}_i$, the isospin field ${\vec T}_i$ is…
The electronic properties of excitonic insulators have been examined precisely in recent years. Pictures of exciton condensation may be applied to the spin-state transition observed in perovskite cobalt oxides. We examine the crystal-field…
Low-temperature spin dynamics of the double-layered perovskite La_2-2x_Sr_1+2x_Mn_2_O_7 (LSMO327) was systematically studied in a wide hole concentration range (0.3 <= x < 0.5). The spin-wave dispersion, which is almost perfectly 2D, has…
We have carried out a detailed first-principles study of a d$^{4.5}$ quaternary iridate Ba$_3$YIr$_2$O$_9$ both in its 6H-perovskite-type ambient pressure (AP) phase and also for the high pressure (HP) cubic phase. Our analysis reveals that…
We investigate the correlation-induced Mott, magnetic, and topological phase transitions in artificial (111) bilayers of perovskite transition-metal oxides LaAuO$_3$ and SrIrO$_3$ for which the previous density-functional theory…
High formal valence Os-based double perovskites are a focus of current interest because they display strong interplay of large spin orbit coupling and strong electronic correlation. Here we present the electronic and magnetic…
Geometrical frustration among interacting spins combined with strong quantum fluctuations destabilize long-range magnetic order in favour of more exotic states such as spin liquids. By following this guiding principle, a number of spin…
We construct and analyze a microscopic model for insulating rock salt ordered double perovskites, with the chemical formula A$_2$BB'O$_6$, where the magnetic ion B' has a 4d$^2$ or 5d$^2$ electronic configuration and forms a face centered…
A model of CuO$_2$ planes of cuprate perovskites, containing $d_{x^2-y^2}$ copper orbitals and symmetric combinations of oxygen $p_\sigma$ orbitals, is investigated using the strong coupling diagram technique. This approach allows one to…
The alkali hyperoxide KO$_2$ is a molecular analog of strongly-correlated systems, comprising of orbitally degenerate magnetic O$_2^-$ ions. Using first-principles electronic structure calculations, we set up an effective spin-orbital model…
\lco{} is known for its two-step spin crossover as a function of temperature. Despite efforts spanning over half a century, the origin of this phenomenon is still debated, particularly regarding how the microscopic spin states are involved…
A spin-fermion model that captures the charge-transfer properties of Cu-based high critical temperature superconductors is introduced and studied via Monte Carlo simulations. The strong Coulomb repulsion among $d$-electrons in the Cu…
The double perovskite Ba$_{2}$NaOsO$_{6}$ (BNOO), an exotic example of a very high oxidation state (heptavalent) osmium $d^1$ compound and also uncommon by being a ferromagnetic Mott insulator without Jahn-Teller (JT) distortion, is modeled…
The ferrimagnetic spinel $\mathrm{CoV_2O_4}$ has been a topic of intense recent interest, both as a frustrated insulator with unquenched orbital degeneracy and as a near-itinerant magnet which can be driven metallic with moderate applied…
The stability of high vs. low spin states of transition metal complexes has been interpreted by ligand field theory, which is a perturbation theory of the electron-electron interaction. The present first principles calculation of a series…
Local structural measurements have been performed on hexagonal HoMnO3 in order to ascertain the specific changes in bond distances which accompany magnetic ordering transitions. The transition from paramagnetic to the antiferromagetic…
We have investigated electronic structures of antiferromagnetic YBaCo_2O_5 using the local spin-density approximation (LSDA) + U method. The charge and orbital ordered insulating ground state is correctly obtained with the strong on-site…
Neutron diffraction studies have been carried out on a single crystal of oxygen-deficient perovskite TbBaCo2O5.5 in the temperature range of 7-370 K. There have been observed several magnetic or structural transitions. Among these, the…
The perovskite-type iron oxide Sr$_{2/3}$La$_{1/3}$FeO$_3$ is known to show characteristic spin-charge ordering (SCO), where sixfold collinear spin ordering and threefold charge ordering are coupled with each other. Here, we report the…
We use transport and neutron-scattering measurements to show that a magnetic-field-induced transition from noncollinear to collinear spin arrangement in adjacent CuO_{2} planes of lightly electron-doped Pr_{1.3-x}La_{0.7}Ce_{x}CuO_{4}…