Related papers: Quantum Oscillations in the High Pressure Metallic…
Quantum entanglement between the spin, orbital, and lattice degrees of freedom in condensed matter systems can emerge due to an interplay between spin-orbit and vibronic interactions. Heavy transition metal ions decorated on a face-centered…
The layered perovskite Ca2RuO4 is a spin-one Mott insulator at ambient pressure and exhibits metallic ferromagnetism at least up to ~ 80 kbar with a maximum Curie temperature of 28 K. Above ~ 90 kbar and up to 140 kbar, the highest pressure…
Quasi-particle spectra of the layer perovskite Sr$_2$RuO$_4$ are calculated within Dynamical Mean Field Theory for increasing values of the on-site Coulomb energy $U$. At small $U$ the planar geometry splits the $t_{2g}$ bands near $E_F$…
A new layered perovskite-type oxide Ba$_2$RhO$_4$ was synthesized by a high-pressure technique with the support of convex-hull calculations. The crystal and electronic structure were studied by both experimental and computational tools.…
We report the evolution of the $k$-space electronic structure of lightly doped bulk Ca$_{2}$RuO$_{4}$ with uniaxial strain. Using ultrathin plate-like crystals, we achieve strain levels up to $-4.1\%$, sufficient to suppress the Mott phase…
We report the structural transformation of hexagonal Ba3YIr2O9 to a cubic double perovskite form (stable in ambient conditions) under an applied pressure of 8GPa at 1273K. While the ambient pressure (AP) synthesized sample undergoes…
Na$_{2}$OsO$_{4}$ is an unusual quantum material that, in contrast to the common 5${d}^{2}$ oxides with spins = 1, owns a magnetically silent ground state with spin = 0 and a band gap at Fermi level attributed to a distortion in the…
Magnetic and lattice excitations in the quantum antiferromagnet (C$_4$H$_{12}$N$_2$)Cu$_2$Cl$_6$ (PHCC) are studied across two pressure-induced phase transition at $P_c=4.3~\mathrm{kbar}$ and $P_1=13.4~\mathrm{kbar}$ using Raman…
The electric-current stabilized semi-metallic state in the quasi-two-dimensional Mott insulator Ca$_2$RuO$_4$ exhibits an exceptionally strong diamagnetism. Through a comprehensive study using neutron and X-ray diffraction, we show that…
Hybrid or metal organic framework (MOF) perovskites of general composition, ABX$_3$, are known to show interesting properties which can lead to variety of technological applications. Our first principles study shows they are also potential…
The GdFeO$_{3}$-type perovskite CaCoO$_{3}$ has been successfully synthesized by high-pressure oxygen annealing for the oxygen deficient perovskite. A detailed structural analysis based on synchrotron X-ray diffraction data and a…
The perovskite ruthenate has attracted considerable interest due to reports of possible non-Fermi-liquid behavior and its proximity to a magnetic quantum critical point, yet its ground state and electronic structure remain enigmatic. Here…
Hitherto, the discrete identification of quantum spin liquid phase, holy grail of condensed matter physics, remains a challenging task experimentally. However, the precursor of quantum spin liquid state may reflect in the spin dynamics even…
Using ab initio calculations, we have investigated a cubic perovskite BaOsO3 and a few related compounds that have been synthesized recently and formally have a metallic d^4 configuration. In BaOsO3, which shows obvious 3-dimensional…
Sr2RuO4 is the only known layered perovskite oxide superconductor without copper; there is strong evidence for an unconventional ("p-wave") pairing mechanism, and it has recently been shown to possess a cylindrical, "quasi-two-dimensional"…
The single-layered perovskite Ca$_2$RuO$_4$, characterized by a 4$d^4$ electron configuration, has been studied from first principles using density functional theory (DFT) using the generalized gradient approximation, with inclusion of…
Using density functional theory plus Hubbard $U$ calculations, we show that the ground state of (Mg,Fe)(Si,Fe)O$_3$ perovskite, a major mineral phase in the Earth's lower mantle, has high-spin ferric iron ($S=5/2$) at both the dodecahedral…
We propose a two-stage spin quenching scenario for the unusual heavy fermion state realized in the mixed valent metal LiV$_2$O$_4$. In this theory, local valence fluctuations are responsible for the formation of partially quenched, spin 1/2…
Iridates provide a fertile ground to investigate correlated electrons in the presence of strong spin-orbit coupling. Bringing these systems to the proximity of a metal-insulator quantum phase transition is a challenge that must be met to…
Double perovskite oxide materials have garnered tremendous interest due to their strong spin-lattice-charge coupling. Interesting in their own right, rare-earth-based DPOs have yet to be subjected to high-pressure studies. In this paper, we…