First-principles study of the ferromagnetic and half-metallic properties of the fumarate-bridged polymer View Full Text


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Article Info

DATE

2004-06

AUTHORS

K. L. Yao, L. Zhu, Z. L. Liu

ABSTRACT

.Density-functional theory (DFT) with generalized gradient approximation (GGA) is applied to study the electronic structure and the magnetic properties of ferromagnet [Cu(\documentclass[12pt]{minimal} \usepackage{amsmath} \usepackage{wasysym} \usepackage{amsfonts} \usepackage{amssymb} \usepackage{amsbsy} \usepackage{mathrsfs} \usepackage{upgreek} \setlength{\oddsidemargin}{-69pt} \begin{document}$\mu $\end{document}-C4H2O4)(NH3)2]n(H2O)m. The density of states, the electronic band structure and the spin magnetic moment are calculated. The calculations reveal that the compound has a stable half-metal-ferromagnetic ground state, and that there exists a dominant ferromagnetic interaction arising from the alkoxo-bridged dimeric part of the compound. The spin magnetic moment 1.0 \documentclass[12pt]{minimal} \usepackage{amsmath} \usepackage{wasysym} \usepackage{amsfonts} \usepackage{amssymb} \usepackage{amsbsy} \usepackage{mathrsfs} \usepackage{upgreek} \setlength{\oddsidemargin}{-69pt} \begin{document}$\mu_{B}$\end{document} per molecule mainly comes from the Cu ion with little contribution from O, N, C anion. More... »

PAGES

283-286

Identifiers

URI

http://scigraph.springernature.com/pub.10.1140/epjb/e2004-00192-y

DOI

http://dx.doi.org/10.1140/epjb/e2004-00192-y

DIMENSIONS

https://app.dimensions.ai/details/publication/pub.1029701403


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