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- W3098286875 abstract "We develop the cluster self-consistent field method incorporating both electronic and lattice degrees of freedom to study the origin of ferromagnetism in Cs(2)AgF(4). After self-consistently determining the harmonic and anharmonic Jahn-Teller distortions, we show that the anharmonic distortion stabilizes the staggered x(2)-z(2)/y(2)-z(2) orbital and ferromagnetic ground state, rather than the antiferromagnetic one. The amplitudes of lattice distortions, Q(2) and Q(3), the magnetic coupling strengths, J(x,y), and the magnetic moment are in good agreement with the experimental observations." @default.
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- W3098286875 date "2008-12-10" @default.
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- W3098286875 title "Anharmonic effect on lattice distortion, orbital ordering and magnetic properties in Cs2AgF4" @default.
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- W3098286875 doi "https://doi.org/10.1088/0953-8984/21/2/026014" @default.
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