Electronic structure and magnetic properties of Cu[C(CN)_3]_2 and Mn[C(CN)_3]_2 based on first principles

DOI10.1088/0253-6102/54/5/29MaRDI QIDQ3010258zbMATH OpenOpenAlexFDO

Authors Haiming Huang, Shijun Luo, Kai-Lun Yao

Publication date 30 June 2011

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

Full work available at URL https://doi.org/10.1088/0253-6102/54/5/29

zbMATH Keywords

density functional theoryferromagnetsfirst principle calculation

Mathematics Subject Classification ID

Statistical mechanics of metals (82D35) Statistical mechanics of magnetic materials (82D40)

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Cited in

(11)

• First-principles investigations of the atomic structure and magnetic properties of Ni and Co films on Cu substrate
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• STRUCTURES, ELECTRONIC AND MAGNETIC PROPERTIES OF C₂₀ FULLERENES DOPED TRANSITION METAL ATOMS M@C₂₀ (M = Fe, Co, Ti, V)
• Theoretical analysis of \(\mathrm{CuTiS}_2\) and \(\mathrm{CuTiSe}_2\) invoking density functional theory-based descriptors
• HUGE ANTIFERROMAGNETIC EXCHANGE INTERACTIONS IN NEWLY REPORTED COPPER(II) COMPLEX OF THE ANTIPRINE SCHIFF BASE OF 3-FORMYLSALICYLIC ACID
• MAGNETOCHEMISTRY OF SOME TRINUCLEAR Co(II) THIOCARBOXYLATES
• The first pronciples calculation of structural, electronic and magnetic properties of MnXY (X=Ru, Rh and Y=Ga, Ge, Sb) alloys
• An ab initio study of the magnetic and electronic properties of Fe, Co, and Ni nanowires on Cu(001) surface
• Electronic structures of quasi-one-dimensional ferrimagnetic insulator \(\mathrm{Ca}_3\mathrm{Co}_2 \mathrm{O}_6\)
• Double-exchange model for molecule-based magnets
• First-principles investigations of Cr doping effects on electronic structure and magnetic properties in Sr\({}_{2}\)FeReO\({}_{6}\)

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