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The metal-insulator and spin state transitions of CoO under high pressure are studied by using density functional theory combined with dynamical mean-field theory. Our calculations predict that the metal-insulator transition in CoO is a…

强关联电子 · 物理学 2014-12-04 Li Huang , Yilin Wang , Xi Dai

We present elastic and quasielastic neutron scattering measurements characterizing peculiar short-range charge-orbital and spin order in the layered perovskite material La1.5Sr0.5CoO4. We find that below Tc~750 K holes introduced by Sr…

强关联电子 · 物理学 2009-10-31 I. A. Zaliznyak , J. P. Hill , J. M. Tranquada , R. Erwin , Y. Moritomo

We report on a Ni L$_{2,3}$ edges x-ray absorption spectroscopy (XAS) study in $R$NiO$_3$ perovskites. These compounds exhibit a metal to insulator ($MI$) transition as temperature decreases. The L$_{3}$ edge presents a clear splitting in…

Synchrotron X-ray powder diffraction experiments reveal that the transition from a magnetic intermediate spin (IS) state to a nonmagnetic low-spin (LS) ground state in LaCoO3 normally observed when cooling, manifests itself under pressure…

材料科学 · 物理学 2009-11-07 T. Vogt , J. A. Hriljac , N. C. Hyatt , P. Woodward

We studied the spin-state responses to light impurity doping in low-spin perovskite LaCoO$_{3}$ (Co^3+: d^6) through magnetization and X-ray fluorescence measurements of single-crystal LaCo$_{0.99}$$M_{0.01}$O$_{3}$ ($M$ = Cr, Mn, Fe, Ni).…

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…

强关联电子 · 物理学 2013-10-28 Tusharkanti Dey , A. V. Mahajan , R. Kumar , B. Koteswararao , F. C. Chou , A. A. Omrani , H. M. Ronnow

The spin state transition in LaCoO$_3$ has eluded description for decades despite concerted theoretical and experimental effort. In this study, we approach this problem using fully charge self-consistent Density Functional Theory + Embedded…

材料科学 · 物理学 2017-11-15 Bismayan Chakrabarti , Turan Birol , Kristjan Haule

The $4d$ and $5d$ transition metal oxides have become important members of the emerging quantum materials family due to competition between onsite Coulomb repulsion ($U$) and spin-orbit coupling (SOC). Specifically, the systems with $d^5$…

强关联电子 · 物理学 2022-02-08 Amit Chauhan , B. R. K. Nanda

We present measurements of the magnetic susceptibility and of the thermal expansion of a LaCoO$_3$ single crystal. Both quantities show a strongly anomalous temperature dependence. Our data are consistently described in terms of a…

强关联电子 · 物理学 2009-11-07 C. Zobel , M. Kriener , D. Bruns , J. Baier , M. Gr"uninger , T. Lorenz , P. Reutler , A. Revcolevschi

A powder X-ray diffraction study, combined with the magnetic susceptibility and electric transport measurements, was performed on a series of LnCoO3 perovskites (Ln = Y, Dy, Gd, Sm, Nd, Pr and La) over a temperature range 100 - 1000 K. A…

材料科学 · 物理学 2010-07-30 K. Knizek , Z. Jirak , J. Hejtmanek , M. Veverka , M. Marysko , G. Maris , T. T. M. Palstra

We present the study of magnetization, thermal expansion, specific heat, resistivity, and a.c. susceptibility of (Pr$_{1-y}$Eu$_y$)$_{0.7}$Ca$_{0.3}$CoO$_3$ cobaltites. The measurements were performed on ceramic samples with $y = 0.12 -…

Recently, the perovskite BiCoO$_3$ has been shown experimentally to be isostructural with PbTiO$_3$, while simultaneously the $d^6$ Co$^{3+}$ ion has a high spin ground state with $C$-type antiferromagnetic ordering. Using hybrid density…

材料科学 · 物理学 2016-05-04 Leigh Weston , Xiangyuan Cui , Simon P. Ringer , Catherine Stampfl

The nanoscopic magneto-electronic phase separation in doped La1-xSrxCoO3 perovskites was studied with local probes. The phase separation is directly observed by M\"ossbauer spectroscopy in the studied doping range of 0.05 <= x <= 0.25 both…

The magnetic moment induced by an external magnetic field of 5.8 T on the Co3+ ions in LaCoO3 has been measured by polarized neutron diffraction. Measurements were made at 100 K, near to the spin-state transition, at 1.5 K and at 285 K. The…

强关联电子 · 物理学 2015-06-25 V. P. Plakhty , P. J. Brown , B. Grenier , S. V. Shiryaev , S. N. Barilo , S. V. Gavrilov , E. Ressouche

Ultrasound velocity measurements of the pseudo-cubic spin-crossover cobaltite LaCoO$_3$ and the lightly Ni-substituted La(Co$_{0.99}$Ni$_{0.01}$)O$_3$ reveal two types of symmetry-resolved elastic anomaly in the insulating paramagnetic…

强关联电子 · 物理学 2025-02-03 T. Watanabe , R. Okada , K. Tomiyasu

The rhodium doping in the LaCo$_{1-x}$Rh$_{x}$O$_3$ perovskite series ($x=0.02-0.5$) has been studied by X-ray diffraction, electric transport and magnetization measurements, complemented by electronic structure GGA+U calculations in…

材料科学 · 物理学 2012-04-04 K. Knížek , J. Hejtmánek , M. Maryško , Z. Jirák , J. Buršík

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…

We show that the $t_{2g}^2$ perovskite LaVO$_3$, in its orthorhombic phase, is a rare case of a system hosting an orbital-ordering Kugel-Khomskii phase transition, rather than being controlled by the Coulomb-enhanced crystal-field…

强关联电子 · 物理学 2022-09-13 Xue-Jing Zhang , Erik Koch , Eva Pavarini

The family of hole-doped Pr-based perovskite cobaltites, Pr$_{0.5}$Ca$_{0.5}$CoO$_{3}$ and (Pr$_{1-y}$RE$_{y}$)$_{0.3}$Ca$_{0.7}$CoO$_{3}$ (where RE is rare earth) has recently been found to exhibit simultaneous metal-insulator, spin-state,…

In the perovskite Ti oxide RTiO3 (R=rare-earth ions), the Ti t2g orbitals and spins in the 3d^1 state couple each other through the strong electron correlations, resulting in a rich variety of orbital-spin phases. The origin and nature of…

强关联电子 · 物理学 2007-05-23 Masahito Mochizuki , Masatoshi Imada