Theoretical study on the stability and m
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B. Xiao; J.D. Xing; J. Feng; Y.F. Li; C.T. Zhou; W. Su; X.J. Xie; Y.H. Chen
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Article
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2008
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Elsevier Science
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English
β 869 KB
The ground state properties of Cr 7 C 3 cell are studied in this paper by using first-principles calculations; the covalent bond in this compound is a kind of p and d hybridization between carbon (C) and chromium (Cr). The Fermi surface of projected density of states (PDOS) is dominated by d bands o