Related papers: Engineering spin-orbital magnetic insulator by tai…
The unusual magnetic and electronic ground states of 5d iridates has been shown to be driven by intrinsically enhanced spin-orbit coupling (SOC). The influence of appreciable but reduced SOC in creating the manifested magnetic insulating…
Sr$_2$IrO$_4$ is an extensively studied spin-orbit coupling induced insulator with antiferromagnetic ground state. The delicate balance between competing energy scales plays crucial role for its low temperature phase, and the route of…
We have found weak long range antiferromagnetic order in the quasi-two-dimensional insulating oxide $ KCr_3(OD)_6(SO_4)_2$ which contains Cr$^{3+}$ S=3/2 ions on a kagom\'{e} lattice. In a sample with $\approx$ 76% occupancy of the chromium…
Electrons hopping on the sites of a three-dimensional pyrochlore lattice are shown to form topologically non-trivial insulating phases when the spin-orbit (SO) coupling and lattice distortions are present. Of 16 possible topological classes…
Sr2IrO4 is a magnetic insulator driven by spin-orbit interaction (SOI) whereas the isoelectronic and isostructural Sr2RhO4 is a paramagnetic metal. The contrasting ground states have been shown to result from the critical role of the strong…
We report first principles characterization of the structural and electronic properties of (SrTiO$_{3}$)$_{5}$/(SrRuO$_{3}$)$_{1}$ superlattices. We show that the system exhibits a spin-polarized two-dimensional electron gas, extremely…
Strong spin-orbit coupling (SOC) effects of heavy $d$-orbital elements have long been neglected in describing the ground states of their compounds thereby overlooking a variety of fascinating and yet unexplored magnetic and electronic…
Spin-orbit coupling (SOC) is pivotal for various fundamental spin-dependent phenomena in solids and their technological applications. In semiconductors, these phenomena have been so far studied in relatively weak electron-electron…
The double perovskite Ba$_{2}$NaOsO$_{6}$ (BNOO), an exotic example of a very high oxidation state (heptavalent) osmium $d^1$ compound and also uncommon by being a ferromagnetic Mott insulator without Jahn-Teller (JT) distortion, is modeled…
We investigate the electronic structure of Sr$_3$NiRhO$_6$, a quasi-one-dimensional spin chain system using \emph{ab initio} band structure calculations. Spin polarized calculations within GGA reveal that Ni and Rh have finite moments and…
Two-dimensional (2D) atom lattices provide model setups for Coulomb correlations inducing competing ground states, partly with topological character. Hexagonal SiC(0001) is an intriguing wide-gap substrate, spectroscopically separated from…
Artificially fabricated 3$d$/5$d$ superlattices (SLs) involve both strong electron correlation and spin-orbit coupling in one material by means of interfacial 3$d$-5$d$ coupling, whose mechanism remains mostly unexplored. In this work we…
Spin correlations in metallic and insulating phases of $V_2O_3$ and its derivatives are investigated using magnetic neutron scattering. Metallic samples have incommensurate spin correlations varying little with hole doping. Paramagnetic…
Transition metal compounds with the $(t_{2g})^4$ electronic configuration are expected to be nonmagnetic atomic singlets both in the weakly interacting regime due to spin-orbit coupling, as well as in the Coulomb dominated regime with…
The insulating iron compounds Eu$_2$SrFe$_2$O$_6$ and Sr$_3$Fe$_2$O$_4$Cl$_2$ have high-temperature antiferromagnetic (AF) order despite their different layered structures. Here we carry out density functional calculations and Monte Carlo…
We investigate the structural, magnetic and spin-state transitions, and magnetocaloric properties of Sr$_{2-x}$La$_x$CoNbO$_6$ ($x=$ 0--1) double perovskites. The structural transition from tetragonal to monoclinic phase at $x$ $\geqslant$…
In half-doped Pr0.50A0.50CoO3 metallic perovskites, the spin-lattice coupling brings about distinct magnetostructural transitions for A=Ca and A=Sr at temperatures close to 100 K. However, the ground magnetic properties of Pr0.50Sr0.50CoO3…
Motivated by the recent activities on the Ni-based diamond lattice antiferromagnet NiRh$_2$O$_4$, we theoretically explore on a general ground the unique spin and orbital physics for the Ni$^{2+}$ ions with a $3d^8$ electron configuration…
We probe the spectrum of elementary excitations in SrIrO$_3$ by using heterostructured [(SrIrO$_3$)$_m$/(SrTiO$_3$)$_l$] samples to approach the bulk limit. Our resonant inelastic x-ray scattering (RIXS) measurements at the Ir $L_3$-edge…
Recent investigations suggest that both spin-orbit coupling and electron correlation play very crucial roles in the $5d$ transition metal oxides. By using the generalized Gutzwiller variational method and dynamical mean-field theory with…