Electronic structures of quasi-one-dimensional ferrimagnetic insulator Ca₃Co₂ O₆

DOI10.1016/J.CPC.2010.08.016MaRDI QIDQ546892zbMATH OpenOpenAlexFDO

Authors Tay-Rong Chang, Horng-Tay Jeng, Chen-Shiung Hsue

Publication date 30 June 2011

Published in Computer Physics Communications (Search for Journal in Brave)

Full work available at URL https://doi.org/10.1016/j.cpc.2010.08.016

zbMATH Keywords

first-principles calculationsorbital orderingstrong correlation

Mathematics Subject Classification ID

Lattice systems (Ising, dimer, Potts, etc.) and systems on graphs arising in equilibrium statistical mechanics (82B20) Interacting particle systems in time-dependent statistical mechanics (82C22) Statistical mechanics of magnetic materials (82D40)

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(4)

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• First-principles investigations of Cr doping effects on electronic structure and magnetic properties in Sr\({}_{2}\)FeReO\({}_{6}\)

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