Related papers: Orbitally driven spin-singlet dimerization in $S$=…
The low and high-temperature phases of V$_4$O$_7$ have been studied by \textit{ab initio} calculations. At high temperature, all V atoms are electronically equivalent and the material is metallic. Charge and orbital ordering, associated…
The crystal and magnetic structure of La_{1-x}Sr_{1+x}MnO_4 (0<x<0.7) has been studied by diffraction techniques and high resolution capacitance dilatometry. There is no evidence for a structural phase transition like those found in…
The strongly correlated insulator Ca$_{2}$RuO$_4$ is considered as a paradigmatic realization of both spin-orbital physics and a band-Mott insulating phase, characterized by orbitally selective coexistence of a band and a Mott gap. We…
To clarify a crucial role of a spin-orbit coupling in the emergence of novel spin-orbital states in $5d$-electron compounds such as Sr$_{2}$IrO$_{4}$, we investigate ground state properties of a $t_{\rm 2g}$-orbital Hubbard model on a…
Ground-state properties of layered nickelates are investigated based on the orbital-degenerate Hubbard model coupled with lattice distortions, by using umerical techniques. The N\'eel state composed of spin S=1 ions is confirmed in the…
The spin-orbital entanglement in $5d^1$ transition metal ions embedded in double perovskites, where anomalous effective magnetic dipole moments are frequently observed, is quantified by the spin-orbital von Neumann entropy $\Delta S_{\rm…
We present a unique study of the frustrated spinel MgV2O4 which possesses highly coupled spin, lattice and orbital degrees of freedom. Using large single-crystal and powder samples, we find a distortion from spinel at room temperature…
We use Ru $L_3$-edge (2838.5 eV) resonant inelastic x-ray scattering (RIXS) to quantify the electronic structure of Ca$_2$RuO$_4$, a layered $4d$-electron compound that exhibits a correlation-driven metal-insulator transition and…
Based on the degeneracy of the d_{zx} and d_{yz} orbitals in Sr_2RuO_4 it is argued that the Cooper pairs condense in orbital singlets. Together with the spin-triplet wave functions the real-space wave function then is symmetric.…
Charge ordering in the low-temperature triclinic structure of titanium oxide (Ti4O7) is investigated using the local density approximation (LDA)+U method. Although the total 3d charge separation is rather small, an orbital order parameter…
The concept of spin-orbital entanglement on superexchange bonds in transition metal oxides is introduced and explained on several examples. It is shown that spin-orbital entanglement in superexchange models destabilizes the long-range (spin…
With electron filling $n=1$ in the $\rm Sr_2VO_4$ compound, the octahedrally coordinated $t_{\rm 2g}$ orbitals are strongly active due to tetragonal distortion induced crystal field tuning by external agent such as pressure. Considering the…
In FeSc2S4 spin-orbital exchange competes with strong spin-orbit coupling, suppressing long-range spin and orbital order and, hence, this material represents one of the rare examples of a spin-orbital liquid ground state. Moreover, it is…
Molecule oxygen resembles 3d and 4f metals in exhibiting long-range spin ordering and electron strong correlated behaviors in compounds. The ferromagnetic spin ordering and half-metallicity, however, are quite elusive and have not been well…
When holes are doped into a Mott-Hubbard type insulator, like lightly doped manganites of the La(1-x)CaxMnO3 family, the cooperative Jahn-Teller distortions and the appearance of orbital ordering require an arrangement of Mn(3+)/Mn(4+) for…
CuAl2O4 is a normal spinel oxide having quantum spin, S=1/2 for Cu2+. It is a rather unique feature that the Cu2+ ions of CuAl2O4 sit at a tetrahedral position, not like the usual octahedral position for many oxides. At low temperatures, it…
It has been shown that for the highly-correlated d4 electronic system the spin-orbit interactions produce, even in case of the cubic crystal-field interactions, a singlet ground state. Its magnetic moment grows rapidly with the applied…
We report unusual effects of nonmagnetic impurities on the spin-triplet superconductor Sr2RuO4. The substitution of nonmagnetic Ti4+ for Ru4+ induces localized-moment magnetism characterized by unexpected Ising anisotropy with the easy axis…
First-order structural phase transition is a common phenomenon in materials that qualitatively alters their physical properties. Yet, the abrupt first-order nature is usually unexplained by realistic computations, implying an omission of…
The crystal structure of Ca_{2-x}Sr_xRuO_4 with 0.2 < x < 1.0 has been studied by diffraction techniques and by high resolution capacitance dilatometry as a function of temperature and magnetic field. Upon cooling in zero magnetic field…