Related papers: Orbitally-driven Peierls state in spinels
We attribute the structural phase transition (SPT) in the parent compounds of the iron pnictides to orbital ordering. Due to the anisotropy of the $d_{xz}$ and $d_{yz}$ orbitals in the $xy$ plane, a ferro-orbital ordering makes the…
The spin-orbital polarization of superconducting excitations in momentum space is shown to provide distinctive marks of unconventional pairing in the presence of inversion symmetry breaking.Taking the prototypical example of an electronic…
The interest in the study of spin-Peierls phenomenon has increased with the discovery of copper germanium oxide (CuGeO_3) as an example of spin-Peierls systems. The availability of this inorganic compound as large, high quality single…
In many transition metal compounds, in particular those containing Fe^{2+} and Co^{3+}, there occur spin-state transitions between low-spin and high-spin (or intermediate-spin) states. We show that typical interactions between similar…
The charge frustration with the mixed-valence state inherent to LiTi$_2$O$_4$, which is found to be a unique spinel oxide superconductor, is the impetus for paying special attention to reveal the existence of intriguing superconducting…
The underdoped phase diagram of the iron-based superconductors exemplifies the complexity common to many correlated materials. Indeed, multiple ordered states that break different symmetries but display comparable transition temperatures…
The chromium spinels MgCr2O4 and ZnCr2O4 are prime examples of the highly frustrated pyrochlore lattice antiferromagnet. Experiment has carefully established that both materials, upon cooling, distort to lower symmetry and order…
Spinel oxides are well-known functional materials but rarely show superconductivity. Recently, emergent superconductivity was discovered in MgTi$_2$O$_4$, which is attributed to the increase of electron doping and the suppression of orbital…
Neutron spectroscopy has revealed a highly unusual magnetic structure and dynamics in YVO$_3$, an insulating pseudocubic perovskite that undergoes a series of temperature induced phase transitions between states with different spin and…
We present first-principles studies on the orbital states of the layered perovskites Ca$_{2-x}$Sr$_x$RuO$_4$. The crossover from antiferromagnetic (AF) Mott insulator for $x < 0.2$ to nearly ferromagnetic (FM) metal at $x=0.5$ is…
Transition-metal ions with $5d^2$ electronic configuration in a cubic crystal field are prone to have a vanishing dipolar magnetic moment but finite higher-order multipolar moments, and they are expected to exhibit exotic physical…
Sr2IrO4 exhibits a novel insulating state driven by spin-orbit interactions. We report two novel phenomena, namely a large magnetoresistivity in Sr2IrO4 that is extremely sensitive to the orientation of magnetic field but exhibits no…
The role of orbital ordering on metal-insulator transition of transition-metal oxides is investigated by the cluster self-consistent field approach in the strong correlation regime. A clear dependence of the insulating gap on the orbital…
Transition-metal oxides offer an opportunity to explore unconventional superconductors, where the superconductivity (SC) is often interrelated with novel phenomena such as spin/charge order, fluctuations, and Fermi surface instability…
Akali superoxides AO2 (A=Na, K, Rb, Cs), due to an open p shell of the oxygen ion O2^- with degenerate pi orbitals, have spin and orbital degrees of freedom. The complex magnetic, orbital, and structural phase transitions observed…
GeCu2O4 exhibits a tetragonal spinel structure due to the strong Jahn-Teller distortion associated with Cu2+ ions. We show that its magnetic structure can be described as slabs composed of a pair of layers with orthogonally oriented spin…
The local structure of NaTiSi$_{2}$O$_{6}$ is examined across its Ti-dimerization orbital-assisted Peierls transition at 210 K. An atomic pair distribution function approach evidences local symmetry breaking preexisting far above the…
Using {\it ab initio} density functional theory, here we systematically study the monolayer MoOCl$_2$ with a $4d^2$ electronic configuration. Our main results is that an orbital-selective Peierls phase (OSPP) develops in MoOCl$_2$,…
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…
We address the possible emergence of spin triplet superconductivity in CrO$_{2}$ bilayers, which are half-metals with fully spin-polarized conducting bands. Starting from a lattice model, we show that chiral $p+ip$ states compete with…