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• W188926093 abstract "By means of the LSDA+U method and the Green function method, we investigate the electronic and magnetic properties of the new material of Sr$_8$CaRe$_3$Cu$_4$O$_{24}$. Our LSDA+U calculation shows that this system is an insulator with a net magnetic moment of 1.01 $mu_{rm B}$/f.u., which is in good agreement with the experiment. Magnetic moments are mainly located at Cu atoms, and the magnetic moments of neighboring Cu sites align anti-parallel. It is the non-magnetic Re atoms that induce an orbital order of $d$ electrons of Cu atoms, which is responsible for the strong exchange interaction and the high magnetic transition temperature. Based on the LSDA+U results, we introduce an effective model for the spin degrees of freedom, and investigate the finite-temperature properties by the Green function method. The obtained results are consistent with the experimental results, indicating that the spin-alternating Heisenberg model is suitable for this compound." @default.
• W188926093 created "2016-06-24" @default.
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• W188926093 date "2005-03-03" @default.
• W188926093 modified "2023-09-25" @default.
• W188926093 title "Orbital Order and Ferrimagnetic Properties of<mml:math xmlns:mml=http://www.w3.org/1998/Math/MathML display=inline><mml:msub><mml:mrow><mml:mi mathvariant=normal>S</mml:mi><mml:mi mathvariant=normal>r</mml:mi></mml:mrow><mml:mn>8</mml:mn></mml:msub><mml:msub><mml:mrow><mml:mi mathvariant=normal>C</mml:mi><mml:mi mathvariant=normal>a</mml:mi><mml:mi mathvariant=normal>R</mml:mi><mml:mi mathvariant=normal>e</mml:mi></mml:mrow><mml:mn>3</mml:mn></mml:msub><mml:msub><mml:mrow><mml:…" @default.
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• W188926093 doi "https://doi.org/10.1103/physrevlett.94.087205" @default.
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