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Intermediate spin state of<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msup><mml:mrow><mml:mi mathvariant="normal">Co</mml:mi></mml:mrow><mml:mrow><mml:mn>3</mml:mn><mml:mo>+</mml:mo></mml:mrow></mml:msup></mml:mrow></mml:math>and<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msup><mml:mrow><mml:mi mathvariant="normal">Co</mml:mi></mml:mrow><mml:mrow><mml:mn>4</mml:mn><mml:mo>+</mml:mo></mml:mrow></mml:msup></mml:mrow></mml:math>ions in<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant="normal">La</mml:mi></mml:mrow><mml:mrow><mml:mn>0.5</mml:mn></mml:mrow></mml:msub></mml:mrow><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant="normal">Ba</mml:mi></mml:mrow><mml:mrow><mml:mn>0.5</mml:mn></mml:mrow></mml:msub></mml:mrow><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant="normal">CoO</mml:mi></mml:mrow><mml:mrow><mml:mn>3</mml:mn></mml:mrow></mml:msub></mml:mrow></mml:math>evidenced by Jahn-Teller distortions

François FauthEuropean Synchrotron Radiation Facility, 6, Rue Jules Horowitz, B.P. 220, 38043 Grenoble Cedex, FranceEmmanuelle SuardInstitut Laue Langevin, 6, Rue Jules Horowitz, B.P. 156X, 38042 Grenoble Cedex 9, FranceV. CaignaertLaboratoire CRISMAT/ISMRA, Boulevard du Mal Juin, 14050 Caen Cedex, France
2001lv
ABI

Abstract

From high resolution neutron and synchrotron powder diffraction studies performed on the ideal cubic perovskite compound ${\mathrm{La}}_{0.5}{\mathrm{Ba}}_{0.5}{\mathrm{CoO}}_{3},$ we have observed the onset of a long-range tetragonal phase accompanying a para-ferromagnetic transition at ${T}_{C}\ensuremath{\sim}180 \mathrm{K}.$ The lowering of the crystal symmetry is the direct signature of a cooperative and static Jahn-Teller (JT) distortion of the ${\mathrm{CoO}}_{6}$ octahedra. The JT effect is favored by the intermediate spin-state configuration, ${t}_{2g}^{5}{e}_{g}^{1}$ and ${t}_{2g}^{5}{e}_{g}^{1}\underset{\ifmmode\bar\else\textasciimacron\fi{}}{L},$ of the ${\mathrm{Co}}^{3+}{(d}^{6})$ and ${\mathrm{Co}}^{4+}{(d}^{5})$ species occurring in the structure. At ${\mathrm{T}}_{C},$ the material exhibits a sudden increase of metallicity and a substantial peak in the magnetoresistivity. When further cooling down, the gradual ordering of the ${d}_{{3z}^{2}\ensuremath{-}r2}$ orbitals leads to a metal-insulator-like transition at ${T}_{\mathrm{MI}}\ensuremath{\sim}120 \mathrm{K}.$

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