Related papers: Spin-orbit-coupled metal candidate PbRe2O6
Strong spin-orbital-coupling magnetic systems with the honeycomb structure can provide bond-directional interactions which may result in Kitaev quantum spin liquids and exotic anyonic excitations. However, one of the key ingredients in real…
The 5d-transition metal pyrochlore oxide Cd2Re2O7, which was recently suggested to be a prototype of the spin-orbit-coupled metal [Phys. Rev. Lett. 115, 026401 (2015)], exhibits an inversion-symmetry breaking (ISB) transition at 200 K and a…
The ordered hexagonal perovskite Ba2CuTeO6 hosts weakly coupled S=1/2 spin ladders produced by an orbital ordering of Cu2+. The magnetic susceptibility chi(T) of Ba2CuTeO6 is well described by that expected for isolated spin ladders with…
Structure with orbital degeneracy is unstable toward spontaneous distortion. Such orbital correlation usually has a much higher energy scale than spins, and therefore, magnetic transition takes place at a much lower temperature, almost…
The superconducting pyrochlore oxide Cd2Re2O7 shows a structural transition with inversion symmetry breaking (ISB) at Ts1 = 200 K. A recent theory [L. Fu, Phys. Rev. Lett. 115, 026401 (2015)] suggests that the origin is an electronic…
Motivated by experiments on the double perovskites La2ZnIrO6 and La2MgIrO6, we study the magnetism of spin-orbit coupled j=1/2 iridium moments on the three-dimensional, geometrically frustrated, face-centered cubic lattice. The…
Two-dimensional honeycomb antiferromagnet becomes an important class of materials as it can provide a route to Kitaev quantum spin liquid, characterized by massive quantum entanglement and fractional excitations. The signatures of its…
Strong spin-orbit coupling fosters exotic electronic states such as topological insulators and superconductors, but the combination of strong spin-orbit and strong electron-electron interactions is just beginning to be understood. Central…
PbCuTe$_2$O$_6$ is considered as one of the rare candidate materials for a three-dimensional quantum spin liquid (QSL). This assessment was based on the results of various magnetic experiments, performed mainly on polycrystalline material.…
We show that spin-orbit coupling (SOC) plays Janus-faced roles on the orbitally-selective Mott transitions in a three-orbital Hubbard model with crystal field splitting at a specific filling of $2/3$, which is a minimal Hamiltonian for…
The double-perovskite A$_2$BB'O$_6$ with heavy transition metal ions on the ordered B' sites is an important family of compounds to study the interplay between electron correlation and spin-orbit coupling (SOC). Here we prepared…
Using density functional theory calculations including an on-site Coulomb term, we explore electronic and possibly topologically nontrivial phases in $3d$ transition metal oxide honeycomb layers confined in the corundum structure…
The electronic and magnetic properties of monoclinic double perovskite Sr$_2$CeIrO$_6$ were examined based on both experiments and first-principles density functional theory calculations. From the calculations we conclude that…
The phase stability of the various crystalline structures of the super-heavy element Copernicium was determined based on the first-principles calculations with different levels of the relativistic effects. We utilized the Darwin term,…
We present a modification of exactly solvable spin-(1/2) Kitaev model on the decorated honeycomb lattice, with a ground state of "spin metal" type. The model is diagonalized in terms of Majorana fermions; the latter form a 2D gapless state…
Intensive studies of the interplay between spin-orbit coupling (SOC) and electronic correlations in transition metal compounds have recently been undertaken. In particular, $j_{\rm eff}$ = 1/2 bands on a honeycomb lattice provide a pathway…
The Heisenberg spin chain compound Sr3CuPtO6 is investigated by magnetic susceptibility and heat capacity measurements. Sr3CuPtO6 has an unconventional chain structure in the sense that i) the spin half copper atoms are arranged in a zigzag…
Recently, in the seemingly narrow gap insulating NiCrO$_3$ with the trigonally distorted (R-3c) perovskite-like structure, a compensated half-metal (CHM) is predicted, as applying a modest pressure. Using ab initio calculations including…
We consider a model of the double perovskite Ba2FeReO6, a room temperature ferrimagnet with correlated and spin-orbit coupled Re t2g electrons moving in the background of Fe moments stabilized by Hund's coupling. We show that for such 3d/5d…
Using thermodynamic measurements and density-functional band-structure calculations, we explore magnetic behavior of SrCuTe2O6. Despite being a structural sibling of a three-dimensional frustrated system PbCuTe2O6, this spin-1/2 quantum…