相关论文: Orbital and spin physics in LiNiO2 and NaNiO2
We present our theoretical results on the mechanism of two transitions in vanadium spinel oxides $A$V$_2$O$_4$ ($A$=Zn, Mg, or Cd) in which magnetic V cations constitute a geometrically-frustrated pyrochlore structure. We have derived an…
The effects of a spin-orbit interaction on transition-metal ions of (4d)^3- and (5d)^3 -based oxides in which three electrons occupy t_{2g} orbitals are studied. The amplitude of the magnetic moment of d electrons on the 5d and 4d orbitals…
We discuss the notions of spin-orbital polarization and ordering in paramagnetic materials, and address their consequences in transition metal oxides. Extending the combined density functional and dynamical mean field theory scheme to the…
Different types of order are discussed in the context of strongly correlated transition metal oxides, involving pure compounds and $3d^{3}-4d^{4}$ and $3d^{2}-4d^{4}$ hybrids. Apart from standard, long-range spin and orbital orders we…
In NaNiO2, Ni3+ ions form a quasi two dimensional triangular lattice of S = 1=2 spins. The magnetic order observed below 20K has been described as an A type antiferromagnet with ferro- magnetic layers weakly coupled antiferromagnetically.…
Magnetism of transition metal (TM) oxides is usually described in terms of the Heisenberg model, with orientation-independent interactions between the spins. However, the applicability of such a model is not fully justified for TM oxides…
The compounds $Ln$AuAl$_4$Ge$_2$ ($Ln$ $=$ lanthanide) form in a structure that features two-dimensional triangular lattices of $Ln$ ions that are stacked along the crystalline $c$ axis. Together with crystal electric field effects,…
The hyperfine interaction between the electron spin and the nuclear spins is one of the main sources of decoherence for spin qubits when the nuclear spins are disordered. An ordering of the latter largely suppresses this source of…
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…
Starting from the Mott insulator picture for cubic vanadates, we derive and investigate the model of superexchange interactions between V$^{3+}$ ions, with nearly degenerate $t_{2g}$ orbitals occupied by two electrons each. The…
An orbital ordering occurs in many transition metal compounds with Jahn-Teller ions and plays an important role in these materials. At the same time, exchange interactions in orbitally degenerate systems are inherently frustrated, even in…
Single-site dynamical mean field theory is used to determine the magnetic and orbital-ordering phase diagram for a model of electrons moving on a lattice with three orbital states per site and with the fully rotationally invariant…
We study how strain affects orbital ordering and magnetism at the interface between SrMnO$_3$ and LaMnO$_3$ from density-functional calculations and interpret the basic results in terms of a three-site Mn-O-Mn model. Magnetic interaction…
The recent synthesis of the chromium selenide compound LiCrSe$_2$ constitutes a valuable addition to the ensemble of two-dimensional triangular lattice antiferromagnets (2D-TLA). In this work we present the very first comprehensive study of…
Controlling spin-orbit interaction and its effect on superconductivity has been a long-standing problem in two-dimensional inversion symmetry broken superconductors. An open challenge is to understand the role of various energy scales in…
The magnetism of ordered and disordered La$_2$NiMnO$_6$ is explained using a model involving double exchange and superexchange. The concept of majority spin hybridization in the large coupling limit is used to explain the ferromagnetism of…
We report the magnetic properties of $A$-site spinel compound MnSc$_2$Se$_4$. The macroscopic magnetic measurements uncovers successive magnetic transitions at $T_{\rm{N1}}$= 2.04 K, followed by two further transitions at $T_{\rm{N2}}$=1.8…
Vanadium spinels (ZnV_2O_4, MgV_2O_4, and CdV_2O_4) exhibit a sequence of structural and magnetic phase transitions, reflecting the interplay of lattice, orbital, and spin degrees of freedom. We offer a theoretical model taking into account…
A clear physics picture of TbBaCo$_{2}$O$_{5.5}$ is revealed on the basis of density functional theory calculations. An antiferromagnetic (AFM) superexchange coupling between the almost high-spin Co$^{3+}$ ions competes with a ferromagnetic…
The magnetic phase diagram of the perovskite-type Ti oxides as a function of the GdFeO3-type distortion is examined by using the Hartree-Fock analysis of a multiband d-p Hamiltonian from a viewpoint of competitions of the spin-orbit…