相关论文: Spin-state transition and spin-polaron physics in …

Using density functional theory plus self-consistent Hubbard $U$ (DFT$+U_{sc}$) calculations, we have investigated the structural and electronic properties of the rare-earth cobaltites \textit{R}CoO$_3$ (\textit{R} = Pr -- Lu). Our…

We report on the magnetic, resistive, and structural studies of perovskite La$_{1/3}$Sr$_{2/3}$CoO$_{3-\delta}$. By using the relation of synthesis temperature and oxygen partial pressure to oxygen stoichiometry obtained from…

Quantum-disordered magnetic ground states are challenging to identify in three-dimensional (3D) oxides, where strong exchange pathways typically favour long-range magnetic order or spin freezing. The quadruple perovskite…

Using linear response theory with the dynamical mean-field approximation we investigate the particle-hole instabilities of the two-band Hubbard model in the vicinity of the spin-state transition. Besides the previously reported…

The spin states of Co$^{3+}$ ions in perovskite-type LaCoO$_3$, governed by complex interplay between the electron-lattice interactions and the strong electron correlations, still remain controversial due to the lack of experimental…

Re-based double perovskites (DPs) exhibit a complex interplay of structural and metal-insulator transitions. Here we systematically study the ground state electronic and structural properties for a family of Re-based DPs $A_2B$ReO$_6$…

We present an extensive investigation (magnetic, electric and thermal measurements and X-ray absorption spectroscopy) of the Pr0.5Ca0.5CoO3 and (Pr1-yYy)0.7Ca0.3CoO3 (y=0.0625-0.15) perovskites, in which a peculiar metal-insulator (M-I)…

We investigate the detailed electronic structure of PrCoO$_3$ and its temperature evolution using state-of-the-art photoemission spectroscopy and ab initio band structure calculations. We observe that in addition to the correlation effect,…

In many transition metal compounds, in particular those containing Fe^{2+} and Co^{3+}, there occur spin-state transitions between low-spin and high-spin (or intermediate-spin) states. We show that typical interactions between similar…

We have performed calculations of the electronic structure of LaCoO3 from first principles, assuming the atomistic construction of matter and the electrostatic origin of the crystal-field splitting. In our atomic-like approach QUASST the d…

In the commented Letter Vogt et al. (Phys.Rev.Lett. 84 (2000) 2969) claim the existence of a spin-state transition in YBaCo2O5. We think that this claim about the change from the low spin to high spin state upon cooling in YBaCo2O5 is…

The competition between kinematic, relativistic and Coulombic interactions in iridium-based oxides has spurred intense experimental and theoretical investigations regarding the electronic structure and magnetism. We argue here that the…

We study theoretically the electronic states in a $5d$ transition metal oxide Na$_2$IrO$_3$, in which both the spin-orbit interaction and the electron correlation play crucial roles. Tight-binding model analysis together with the…

We present a combined study of the thermal expansion and the thermal conductivity of the perovskite series RCoO_3 with R = La, Nd, Pr and Eu. The well-known spin-state transition in LaCoO_3 is strongly affected by the exchange of the R ions…

Double-perovskite oxides that contain both 3d and 5d transition metal elements have attracted growing interest as they provide a model system to study the interplay of strong electron interaction and large spin-orbit coupling (SOC). Here,…

We present a study of delta ($\delta$) doping at LaTiO$_3$/SrTiO$_3$ (LTO/STO) interface with iso-structural antiferromagnetic perovskite LaCrO$_3$ (LCO) that dramatically alters the properties of the two dimensional electron gas (2-DEG) at…

The local structure and oxidation state of the cobalt impurity in SrTiO$_3$ is studied by X-ray absorption fine structure (XAFS) spectroscopy. The synthesis conditions, under which cobalt predominantly (up to 76%) substitutes the atoms at…

We propose a minimal model resolving a puzzle of enigmatic correlations observed in sodium-rich Na$_x$CoO$_2$ where one expects a simple, free motion of the dilute $S=1/2$ holes doped into a band insulator NaCoO$_2$. The model also predicts…

We study energetics and the nature of both homogeneous and mixed spin (MS) states in LaCoO$_3$ incorporating structural changes of the crystal volume expansion and the Co-O bond disproportionation (BD) during the spin-state transition using…

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…