Related papers: TiOCl, an orbital-ordered system?
We have theoretically studied successive transitions in vanadium spinel oxides with (t_2g)^2 electron configuration. These compounds show a structural transition at ~ 50K and an antiferromagnetic transition at ~ 40K. Since threefold t_2g…
To explore conditions underlying the superconductivity in electron-doped TiNCl where T$_c$ = 16 K, we calculate the electronic structure, Wannier functions and spin and charge susceptibilities using first-principles density functional…
Spin-orbit coupling is a single-particle phenomenon known to generate topological order, and electron-electron interactions cause ordered many-body phases to exist. The rich interplay of these two mechanisms is present in a broad range of…
Even though organic conductors have complicated crystalline structure with low symmetry and large unit cell, band structure calculations predict multiband quasi-two dimensional electronic structure yielding very simple Fermi surface in most…
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…
Neutron elastic scattering experiments have been performed on the spin gap system TlCuCl$_3$ in magnetic fields parallel to the $b$-axis. The magnetic Bragg peaks which indicate the field-induced N\'{e}el ordering were observed for magnetic…
Density functional calculations are performed to study the magnetic order of the severely distorted square planar cupric oxide (CuO) and local spin disorder in it in the presence of the transition metal impurities M (= Cr, Mn, Fe, Co and…
A systematic microscopic theory of magnetically induced ferroelectricity and lattice modulation is presented for all electron configurations of Mott-insulating transition-metal oxides. Various mechanisms of polarization are identified in…
Unlike charge and spin, the orbital degree of freedom of electrons in transition metal oxides is difficult to detect. We present the theoretical study of a new detection method in metallic orbitally active systems by analyzing the…
Besides magnetic and charge order, regular arrangements of orbital occupation constitute a fundamental order parameter of condensed matter physics. Even though orbital order is difficult to identify directly in experiments, its presence was…
We examine magnon and orbiton behavior in localized O$_2$ anti-bonding molecular $\pi^*$ orbitals using an effective Kugel-Khomskii Hamiltonian derived from a two band Hubbard model with hopping parameters taken from {\em ab initio} density…
We investigate the role played by the electron spin and the spin-orbit interaction on the exceptional electronphonon coupling at the Tl/Si(111) surface. Our first-principles calculations demonstrate that the particular spin pattern of this…
Superconductors without inversion symmetry in their crystal structure are known to exhibit unconventional properties. Recently, based on the measured temperature dependence of the magnetic field penetration depth, superconductivity in…
Topological quantum materials hold great promise for future technological applications. Their unique electronic properties, such as protected surface states and exotic quasiparticles, offer opportunities for designing novel electronic…
This paper has been withdrawn by the authors. Measurements at many different angles spanning a broad range of electron densities indicate that the observed doubling of the period of Shubnikov-de Haas oscillations, which we had attributed to…
Fundamental electronic principles underlying all transition metal compounds are the symmetry and filling of the $d$-electron orbitals and the influence of this filling on structural configurations and responses. Here we use a sensitive…
We investigate the general structure of orbital exchange physics in Mott-insulating states of $p$-orbital systems in optical lattices. Orbital orders occur in both the triangular and Kagome lattices. In contrast, orbital exchange in the…
In the perovskite Ti oxide RTiO3 (R=rare-earth ions), the Ti t2g orbitals and spins in the 3d^1 state couple each other through the strong electron correlations, resulting in a rich variety of orbital-spin phases. The origin and nature of…
We investigate the critical properties of the phase transition towards complex tensor order that has been proposed to occur in spin-orbit coupled superconductors. For this purpose we formulate the bosonic field theory for fluctuations of…
The interplay between spin and orbital degrees of freedom in the Mott-Hubbard insulator is studied by considering an orbitally degenerate superexchange model. We argue that orbital order and the orbital excitation gap in this model are…