Related papers: Detection of multipolar orders in the spin-orbit-e…
Double perovskite compounds containing 5d transition metal elements have been extensively studied as platforms for multipolar order phenomena stemming from spin-orbit-entangled 5d electrons. In this study, we examine the interplay between…
In many materials, ordered phases and their order parameters are easily characterized by standard experimental methods. "Hidden order" refers to a phase transition in which an ordered state emerges without such an easily detectable order…
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…
Localized $5d^2$ electrons in a cubic crystal field possess multipoles such as electric quadrupoles and magnetic octupoles. We studied the cubic double perovskite Ba$_2$CaOsO$_6$ containing the Os$^{6+}$ ($5d^2$) ions, which exhibits a…
We present a density functional theory study of the low-temperature structural, magnetic, and proposed charge-quadrupolar ordering in the double perovskite, Ba$_2$MgReO$_6$. Ba$_2$MgReO$_6$ is a spin-orbit-driven Mott insulator with a…
The synthesis and physical properties of the double perovskite (DP) compound Ba2CdReO6 with the 5d1 electronic configuration are reported. Three successive phases originating from a spin-orbit-entangled Jeff = 3/2 state, confirmed by the…
In a cubic environment, the ground state of spin-orbit coupled $5d^2$ ions is a non-Kramers $E_g$ doublet, which hosts quadrupole and octupole moments. A series of $5d^2$ osmium double perovskites Ba$_2M$OsO$_6$ (M = Mg, Ca, Zn, Cd) have…
Analogs of the high-T$_c$ cuprates have been long sought after in transition metal oxides. Due to the strong spin-orbit coupling (SOC), the $5d$ perovskite iridates Sr$_2$IrO$_4$ exhibit a low-energy electronic structure remarkably similar…
Double perovskites containing heavy transition metal ions are an important family of compounds for the study of the interplay between electron correlation and spin-orbit coupling. Here, by combining magnetic susceptibility, heat capacity,…
The origin of the "hidden" quadrupolar and unconventional magnetic low-temperature orders observed in the spin-orbit double perovskite Ba$_2$MgReO$_6$ defies explanation through standard experimental and theoretical techniques. Here we…
Evolution of composite spin-orbital order and coupled spin-orbital excitations is studied in a variety of $d^4$ systems with $n$=$4$ electrons in the $t_{2g}$ orbital sector using the generalised self-consistent + fluctuations approach for…
We investigate the interplay of spin-orbit coupling, electronic correlations, and lattice distortions in the $5d^1$ double perovskite Ba$_2$MgReO$_6$. Combining density-functional theory (DFT) and dynamical mean-field theory (DMFT), we…
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 ab initio calculations, we have investigated an insulating tetragonally distorted perovskite BaCrO$_3$ with a formal $3d^2$ configuration, the volume of which is apparently substantially enhanced by a strain due to SrTiO$_3$…
We report on the cubic double perovskite Ba2MgReO6 containing Re6+ ions with the 5d1 electron configuration. Resistivity, magnetization, and heat capacity measurements using single crystals show that the compound is a Mott insulator with a…
Spin-orbit coupling of as large as a half eV for electrons in 5$d$ orbitals often gives rise to the formation of spin-orbital entangled objects, characterized by the effective total angular momentum $J_{eff}$. Of particular interest are the…
5$d$ transition metal oxides host a variety of exotic phases due to the comparable strength of Coulomb repulsion and spin-orbit coupling. Herein, by pursuing density-functional studies on a delta-doped quasi-two-dimensional iridate…
The subtle interplay between spin-orbit coupling, exchange interactions, and cation ordering can lead to exotic magnetic states in transition-metal ions. We report a comprehensive study of the Re-based (5$d^1$) ordered double perovskite…
We develop a microscopic theory of multipole interactions and orderings in 5$d^2$ transition metal ion compounds. In a cubic environment, the ground state of 5$d^2$ ions is a non-Kramers $E_g$ doublet, which is nonmagnetic but hosts…
We present first principles calculations of the magnetic and orbital properties of Ba$_2$NaOsO$_6$ (BNOO), a 5$d^1$ Mott insulator with strong spin orbit coupling (SOC) in its low temperature emergent quantum phases. Our computational…