Orbital order and ferrimagnetic properties of the new compound $Sr_8 Ca Re_3 Cu_4 O_{24}$

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dc.creatorWan, Xiangang
dc.creatorKohno, Masanori
dc.creatorHu, Xiao
dc.date2004-05-31
dc.date.accessioned2026-07-07T02:58:23Z
dc.date.available2026-07-07T02:58:23Z
dc.descriptionBy 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 $μ_{\rm B}$/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.
dc.description8 pages and 5 figure
dc.identifierhttps://arxiv.org/abs/cond-mat/0405684
dc.identifierhttp://arxiv.org/abs/cond-mat/0405684
dc.identifierPhysical Review Letters 94, 087205 (2005)
dc.identifierdoi:10.1103/PhysRevLett.94.087205
dc.identifier.urihttp://salesiana.dossiersoluciones.com/handle/123456789/24069
dc.subjectMaterials Science
dc.subjectStrongly Correlated Electrons
dc.titleOrbital order and ferrimagnetic properties of the new compound $Sr_8 Ca Re_3 Cu_4 O_{24}$
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