Related papers: Magnetic moment suppression in Ba3CoRu2O9: hybridi…
The electronic and magnetic properties of Ba$_5$AlIr$_2$O$_{11}$ containing Ir-Ir dimers are investigated using the GGA and GGA+SOC calculations. We found that strong suppression of the magnetic moment in this compound recently found in [J.…
We investigated the electronic structure of the enigmatic CeRh$_3$B$_2$ using resonant inelastic scattering and x-ray absorption spectroscopy in combination with $ab$ $initio$ density functional calculations. We find that the Rh 4$d$ states…
Molecular magnets based on heavy transition metals have recently attracted significant interest in the quest for novel magnetic properties. For systems with an odd number of valence electrons per molecule, high or low molecular spin states…
The magnetic and electronic properties of Ba$_4$Ru$_3$O$_{10}$ were investigated by the ab-initio and model calculations. It is shown that nonmagnetic ground state of the one-third Ru$^{4+}$ ions is not due to the correlation effects. It is…
We present a detailed study of the electronic and magnetic interactions of Ba2CoO4, structurally very uncommon because of the isolated CoO4 distorted tetrahedral coordination. We show the presence of Co(d)-O(p) hybridized states…
While it was speculated that 5$d^4$ systems would possess non-magnetic $J$~=~0 ground state due to strong Spin-Orbit Coupling (SOC), all such systems have invariably shown presence of magnetic moments so far. A puzzling case is that of…
Oxides with $4d$/$5d$ transition metal ions are physically interesting for their particular crystalline structures as well as the spin-orbit coupled electronic structures. Recent experiments revealed a series of $4d$/$5d$ transition metal…
The electronic ground state of Ca3LiOsO6 was recently considered within an intermediate coupling regime that revealed J=3/2 spin-orbit entangled magnetic moments. Through inelastic neutron scattering and density functional theory we…
We investigated the Ru 4d and O 2p electronic structure and magnetic properties of an ultra-high-quality SrRuO3 film on SrTiO3 grown by machine-learning-assisted molecular beam epitaxy. The high itinerancy and long quantum lifetimes of the…
RuSr$_2$GdCu$_2$O$_8$, in which magnetic order and superconductivity coexist with $T_{Magnetic}$$\gg$$T_c$, is a complex material which poses new and important questions to our understanding of the interplay between magnetic and…
A first-principles investigation of cubic-BaRuO$_3$, by combining density functional theory with dynamical mean-field theory and a hybridization expansion continuous time quantum Monte-Carlo solver, has been carried out. Non-magnetic…
The magnetic properties of Ba3TiRu2O9 , whose crystal structure is based on stacked triangular planar lattices of MO6 dimers and single MO6 octahedra, are reported. The system is magnetically disturbed by a substantial amount of Ti/Ru…
We report on the magnetic structures of Tb3RuO7 and Nd3RuO7 determined from powder neutron-diffraction experiments. In Tb3RuO7, alternating-bond spin-3/2 Ru1-Ru2 chains are formed. The Ru1 and Ru2 moments are ordered and disordered…
We study the thermodynamic and high-magnetic-field properties of the magnetic insulator Ba$_5$CuIr$_3$O$_{12}$, which shows no magnetic order down to 2 K consistent with a spin liquid ground state. While the temperature dependence of the…
The 6H-perovskite Ba3RRu2O9 (R = rare-earth), composed of Ru2O9 dimers connected through RO6 octahedra, exhibits an intriguing variety of magnetic ground states, ranging from non-magnetic to ferromagnetic and antiferromagnetic, depending on…
We report on magneto-transport properties of the Kondo semiconducting compound CeRu$_2$Al$_{10}$, focusing on its exotic phase below $T_0$ = 27 K. In this phase, an excess thermal conductivity $\kappa$ emerges and is gradually suppressed by…
Intricate nature of magnetism in uranium-based Kondo lattices is a consequence of correlations between U-5$f$ and conduction electrons. Using linearized quasiparticle self-consistent GW plus dynamical mean-field theory, we demonstrate a…
We have investigated heavy-fermion behavior of the transition-metal oxides ACu3Ru4O12 (A = Na, Ca, La, and their mixtures). It has been known that CaCu3Ru4O12 exhibits Kondo-like behavior attributable to Cu2+ 3d electrons, similar to that…
Electron correlations tend to generate local magnetic moments that usually order if the lattices are not too frustrated. The hexagonal compound SrRu$_2$O$_6$ has a relatively high Neel temperature but small local moments, which seem to be…
We have established detailed magnetoelectric phase diagrams of (Eu$_{0.595}$Y$_{0.405}$)$_{1-x}$Tb$_x$MnO$_3$ ($0 \le x \le 1$) and (Eu,Y)$_{1-x}$Gd$_x$MnO$_3$ ($0 \le x \le 0.69$), whose average ionic radii of $R$-site ($R$: rare earth)…