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We present an inelastic neutron scattering study of the low energy crystal-field excitations in the lightly doped cobalt perovskite La_0.998Sr_0.002CoO_3. In contrast to the parent compound LaCoO_3 an inelastic peak at energy transfer ~0.75…

Strongly Correlated Electrons · Physics 2008-02-22 A. Podlesnyak , K. Conder , E. Pomjakushina , A. Mirmelstein , P. Allenspach , D. I. Khomskii

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 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

The doping series Eu1-xCaxCoO3-d provides a rather peculiar way to study the spin-state transition in cobalt-based complex oxides since partial substitution of Eu3+ ions by Ca2+ ions does not increase the mean valence state of cobalt but is…

We present first principles LDA+U calculations of electronic structure and magnetic state for LaCoO3 and HoCoO3. Low Spin to Intermediate Spin state transition was found in our calculations using experimental crystallographic data for both…

Strongly Correlated Electrons · Physics 2009-11-10 I. A. Nekrasov , S. V. Streltsov , M. A. Korotin , V. I. Anisimov

Spin-state ordering - a periodic pattern of ions with different spin-state configurations along a crystal lattice - is a rare phenomenon, and its possible interrelation with other electronic degrees of freedom remains little explored. Here…

Strongly Correlated Electrons · Physics 2024-03-27 E. Granado , C. W. Galdino , B. D. Moreno , G. King , D. C. Freitas

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

The interplay between crystal electric field splitting of d states and Hund's rule exchange energy in cobalt-based perovskites offers a promising avenue for inducing spin-state transitions. This study reports a new body-centered tetragonal…

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…

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

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 spin states and electronic structure of layered perovskite La1.5Ca0.5CoO4 are investigated using fullpotential linearized augmented plane-wave method. All the computational results indicate that the Co2+ ion is in a high-spin state and…

Strongly Correlated Electrons · Physics 2013-05-29 Ting Jia , Hua Wu , Guoren Zhang , Xiaoli Zhang , Ying Guo , Zhi Zeng , H. Q. Lin

The samples LaCoO3 with dilute substitutions on cobalt sites have been studied using the resistivity, thermopower and magnetic susceptibility measurements over the temperature range up to ~900 K. The Co-site substitution does not affect the…

Materials Science · Physics 2010-07-30 J. Hejtmanek , Z. Jirak , K. Knizek , M. Marysko , M. Veverka , C. Autret

Spin-state transition, also known as spin crossover, plays a key role in diverse systems, including minerals and biological materials. In theory, the boundary range between the low- and high-spin states is expected to enrich the transition…

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

Magnetization measurements of LaCoO$_{3}$ have been carried out up to 133 T generated with a destructive pulse magnet at a wide temperature range from 2 to 120 K. A novel magnetic transition was found at $B>100$ T and $T>T^{*}=32\pm 5$ K…

Strongly Correlated Electrons · Physics 2016-06-15 Akihiko Ikeda , Toshihiro Nomura , Yasuhiro H. Matsuda , Akira Matsuo , Koichi Kindo , Keisuke Sato

Using density functional theory within the LSDA + U method, we investigate the effect of strain on the spin state and magnetic ordering in perovskite lanthanum cobaltite, LaCoO3. We show that, while strain-induced changes in lattice…

Materials Science · Physics 2009-02-18 James M. Rondinelli , Nicola A. Spaldin

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

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

The electronic and magnetic states in doped perovskite cobaltites, (La, Sr)CoO_3, are studied in the numerically exact diagonalization method on Co_2O_{11} clusters. For realistic parameter values, it is shown that a high spin state and an…

Strongly Correlated Electrons · Physics 2009-10-31 K. Tsutsui , J. Inoue , S. Maekawa
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