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• W1981193664 abstract "The recent high-resolution neutron and synchrotron diffraction measurements by Fauth et al. [Phys. Rev. B 65, 060401(R) (2002)] demonstrated the existence of an intermediate spin state in half-doped ${mathrm{La}}_{1/2}{mathrm{Ba}}_{1/2}{mathrm{CoO}}_{3}$ which is accompanied by a long-range tetragonal Jahn-Teller distortion. In this paper we find that the charge uniform ferromagnetic intermediate spin state strongly couples to the Jahn-Teller effect and is stable only at moderate distortion of $1%.$ While the calculated magnetic moment of this state is in agreement with the experimentally measured one, the corresponding orbital ordering is the nearest-neighboring alternating ${d}_{{3x}^{2}ensuremath{-}{r}^{2}}{/d}_{{3y}^{2}ensuremath{-}{r}^{2}},$ instead of the observed uniform ${d}_{{3z}^{2}ensuremath{-}{r}^{2}}$ orbital ordering. A calculation is carried out using the self-consistent unrestricted Hartree-Fock approximation on a realistic multiband d-$p$ Hubbard Hamiltonian and a generalized Jahn-Teller coupling model, in which all possible spin-, charge-, and orbital-ordered states are considered." @default.
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• W1981193664 date "2002-08-02" @default.
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• W1981193664 title "Intermediate spin state stabilized by the Jahn-Teller distortion 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>1</mml:mn><mml:mo>/</mml:mo><mml:mn>2</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>1</mml:mn><mml:mo>/</mml:mo><mml:mn>2</mml:mn></mml:mrow></mml:msub></mml:mrow><…" @default.
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• W1981193664 doi "https://doi.org/10.1103/physrevb.66.064406" @default.
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