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We present a study of the structure, the electric resistivity, the magnetic susceptibility, and the thermal expansion of La$_{1-x}$Eu$_x$CoO$_3$. LaCoO$_3$ shows a temperature-induced spin-state transition around 100 K and a metal-insulator…

Strongly Correlated Electrons · Physics 2009-11-10 J. Baier , S. Jodlauk , M. Kriener , A. Reichl , C. Zobel , H. Kierspel , A. Freimuth , T. Lorenz

For many years a spin-state transition at $T \approx 100 K$ and insulator - metal transition (IMT) at $T_{IMT} \approx 600 K$ in LaCoO$_3 $ remains a mystery. Small low-spin - high-spin spin gap $\Delta _S = E\left( {HS} \right) - E\left(…

Strongly Correlated Electrons · Physics 2010-05-12 S. Ovchinnikov , Yu. Orlov , I. Nekrasov , Z. Pchelkina

The spin transition in LaCoO3 is investigated by temperature-dependent resonant soft X-ray emission spectroscopy near the Co 2p absorption edges. This element-specific technique is more bulk sensitive with respect to the temperature induced…

Strongly Correlated Electrons · Physics 2011-12-30 M. Magnuson , S. M. Butorin , C. Såthe , J. Nordgren , P. Ravindran

The structural properties of LaCoO3 were studied by means of high-resolution neutron powder diffraction in the temperature range 5<T<1000 K. Changes of the Co+3 spin states in this temperature interval are shown to affect not only the unit…

Strongly Correlated Electrons · Physics 2009-11-07 Paolo G. Radaelli , Sang-Wook Cheong

Using soft x-ray absorption spectroscopy and magnetic circular dichroism at the Co-$L_{2,3}$ edge we reveal that the spin state transition in LaCoO$_{3}$ can be well described by a low-spin ground state and a triply-degenerate high-spin…

A gradual spin-state transition occurs in LaCoO3 around T~80-120 K, whose detailed nature remains controversial. We studied this transition by means of inelastic neutron scattering (INS), and found that with increasing temperature an…

Strongly Correlated Electrons · Physics 2008-02-22 A. Podlesnyak , S. Streule , J. Mesot , M. Medarde , E. Pomjakushina , K. Conder , M. W. Haverkort , D. I. Khomskii

In the scientific description of unconventional transport properties of oxides (spin-dependent transport, superconductivity etc.), the spin-state degree of freedom plays a fundamental role. Because of this, temperature- or magnetic…

Materials Science · Physics 2014-11-12 M. Rotter , Z. -S. Wang , A. T. Boothroyd , D. Prabhakaran , A. Tanaka , M. Doerr

The electronic structure of the perovskite La$_{1-x}$Sr$_x$CoO$_3$ has been obtained as a function of Sr substitution and volume from a series of generalized-gradient-corrected, full-potential, spin-density-functional band structure…

Strongly Correlated Electrons · Physics 2009-11-07 P. Ravindran , H. Fjellvåg , A. Kjekshus , P. Blaha , K. Schwarz , J. Luitz

We report the continuous variation of the spin moment of cobalt in LaCoO3 across its temperature and pressure-induced spin transitions evidenced with K\beta emission spectra. The first thermal transition is best described by a transition to…

Strongly Correlated Electrons · Physics 2007-05-23 György Vankó , Jean-Pascal Rueff , Aleksi Mattila , Zoltán Németh , Abhay Shukla

The spin transition in LaCoO$_3$ has been investigated within the density-functional theory + dynamical mean-field theory formalism using continuous time quantum Monte Carlo. Calculations on the experimental rhombohedral atomic structure…

Strongly Correlated Electrons · Physics 2015-01-15 M. Karolak , M. Izquierdo , S. L. Molodtsov , A. I. Lichtenstein

\lco{} is known for its two-step spin crossover as a function of temperature. Despite efforts spanning over half a century, the origin of this phenomenon is still debated, particularly regarding how the microscopic spin states are involved…

Strongly Correlated Electrons · Physics 2024-11-18 Akihiko Ikeda , Yasuhiro H. Matsuda , Keisuke Sato , Joji Nasu

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…

Strongly Correlated Electrons · Physics 2009-11-07 C. Zobel , M. Kriener , D. Bruns , J. Baier , M. Gr"uninger , T. Lorenz , P. Reutler , A. Revcolevschi

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…

Strongly Correlated Electrons · Physics 2020-05-20 Hyowon Park , Ravindra Nanguneri , Anh T. Ngo

The variational cluster approximation is applied to the calculation of thermodynamical quantities and single-particle spectra of LaCoO3. Trial self-energies and the numerical value of the Luttinger-Ward functional are obtained by exact…

Strongly Correlated Electrons · Physics 2015-05-14 R. Eder

We investigate lattice dynamics in LaCoO$_3$ using inelastic neutron and x-ray scattering over $T = 2\mbox{-}650\,\mathrm{K}$, spanning the spin-state crossover at $T_{1} \approx 100\,\mathrm{K}$ and the insulator--metal transition at…

We carried out temperature-dependent (20 - 550 K) measurements of resonant inelastic X-ray scattering on LaCoO$_3$ to investigate the evolution of its electronic structure across the spin-state crossover. In combination with charge-transfer…

The electronic structure of the perovskite LaCoO$_3$ for different spin states of Co ions was calculated in the LDA+U approach. The ground state was found to be a nonmagnetic insulator with Co ions in a low-spin state. Somewhat higher in…

Strongly Correlated Electrons · Physics 2008-02-03 M. A. Korotin , S. Yu. Ezhov , I. V. Solovyev , V. I. Anisimov , D. I. Khomskii , G. A. Sawatzky

We investigate the spin state of LaCoO3 using state-of-the-art photoemission spectroscopy and ab initio band structure calculations. The GGA+U calculations provide a good description of the ground state for the experimentally estimated…

Strongly Correlated Electrons · Physics 2007-07-10 S. K. Pandey , Ashwani Kumar , S. Patil , V. R. R. Medicherla , R. S. Singh , K. Maiti , D. Prabhakaran , A. T. Boothroyd , A. V. Pimpale

Spin-state crossover beyond a conventional ligand-field theory has been a fundamental issue in condensed matter physics. Here, we report microscopic observations of spin states and low-energy dynamics through orbital-resolved NMR…

Strongly Correlated Electrons · Physics 2018-01-01 Yasuhiro Shimizu , Takuya Takahashi , Syunpei Yamada , Ayako Shimokata , Takaaki Jin-no , Masayuki Itoh

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…

Materials Science · Physics 2009-11-07 T. Vogt , J. A. Hriljac , N. C. Hyatt , P. Woodward
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