Related papers: TiOCl, an orbital-ordered system?
The interactions between $e_g$ orbitals in neighboring sites are investigated in LaMnO$_3$ by taking into account virtual exchange of electrons and phonons. The spin and orbital ordering temperatures and the spin wave dispersion relation…
In view of recent controversy regarding the orbital order in the frustrated spinel ZnV2O4, we analyze the orbital and magnetic groundstate of this system within an ab initio density functional theory approach. While LDA+U calculations in…
The paper presents a first attempt to look at the peculiarities of open-shell systems from the viewpoint of spin-orbit coupling. Contrary to common opinion of a negligible role of the issue for light element molecules, presented in the…
We present a general theory about electron orbital motions in topological insulators. An in-plane electric field drives spin-up and spin-down electrons bending to opposite directions, and skipping orbital motions, a counterpart of the…
The electronic properties of quarter-filled organic materials showing spin-Peierls transition are investigated theoretically. By studying the one-dimensional extended Peierls-Hubbard model analytically as well as numerically, we find that…
To leading order in displacement size, the scattering of electrons in a Cu-O plane from O displacements perpendicular to that plane is due to spin-orbit coupling. This scattering is investigated with the following results: (1) As a…
We report results on the electrodynamic response of $TiOCl$, a low-dimensional spin-1/2 quantum magnet that shows a spin gap formation for T$<T_{c1}$= 67 $K$. The Fano-like shape of a few selected infrared active phonons suggests an…
We study theoretically the electronic states in a $5d$ transition metal oxide Na$_2$IrO$_3$, in which both the spin-orbit interaction and the electron correlation play crucial roles. Tight-binding model analysis together with the…
Recent realizations of exotic topological states in condensed matter and cold atoms have advanced the exploration for topological characteristics, such as invariant topological orders and band inversion. Here we construct a 1D optical…
In recent decades, novel magnetism of $d$- and $f$-electron compounds has been discussed very intensively both in experimental and theoretical research fields of condensed matter physics. It has been recognized that those material groups…
We investigate a system of equally charged Coulomb-interacting particles confined to a toroidal helix in the presence of an external electric field. Due to the confinement, the particles experience an effective interaction that oscillates…
We investigate the electronic and structural properties of CuO, which shows significant deviations from the trends obeyed by other transition-metal monoxides. Using an extended Hubbard corrective functional, we uncover an orbitally ordered…
We discuss phenomena arising from the combined influence of electron correlation and spin-orbit coupling, with an emphasis on emergent quantum phases and transitions in heavy transition metal compounds with 4d and 5d elements. A common…
We study detailed classical-quantum correspondence for a cluster system of three spins with single-axis anisotropic exchange coupling. With autoregressive spectral estimation, we find oscillating terms in the quantum density of states…
Based on density functional calculations, we report on the orbital order and microscopic magnetic model of FeNCN, a prototype compound for orbital-only models. Despite having a similar energy scale, the spin and orbital degrees of freedom…
Quantum optomechanics describes the interaction between a confined field and a fluctuating wall due to radiation pressure. The dynamics of this system is typically understood using perturbation theory up to second order in the small…
We present the main features of the spin-orbital superexchange which describes the magnetic and optical properties of Mott insulators with orbital degrees of freedom. In contrast to the SU(2) symmetry of spin superexchange, the orbital part…
We propose and analyse an efficient scheme for simulating higher-order topological phases of matter in two dimensional (2D) spin-phononic crystal networks. We show that, through a specially designed periodic driving, one can selectively…
This article explore the behavior of singlet pairs in Inorganic crystals and take the Ti-Ti and Bi-Bi dimer for example, including the transition in critical temperture by directly or indirectly. Through the analysis, It is proposed that…
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…