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Volumn 17, Issue , 2013, Pages 14-20
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Electronic structure, chemical bonding and magnetism of the metal-rich borides MRh6B3 (M = Cr, Mn, Fe, Co, Ni) with Th 7Fe3-type structure: A density functional theory study
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Author keywords
Bonding; Borides; COHP; DFT; DOS; Electronic structure; LMTO; Magnetism; VASP
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Indexed keywords
CHEMICAL BONDINGS;
COHP;
DFT;
FERROMAGNETIC ORDERINGS;
FIRST-PRINCIPLES DENSITY FUNCTIONAL THEORY;
FUNCTIONALS;
LINEAR MUFFIN-TIN ORBITALS;
LMTO;
MAGNETIC BEHAVIOR;
MAGNETIC STATE;
STRUCTURAL STABILITIES;
TYPE STRUCTURES;
UNIT-CELL VOLUME;
VASP;
BONDING;
BORIDES;
CALCULATIONS;
CHEMICAL BONDS;
CHROMIUM;
DENSITY FUNCTIONAL THEORY;
DOS;
ELECTRONIC STRUCTURE;
MAGNETIC PROPERTIES;
MANGANESE;
RHODIUM;
SATURATION MAGNETIZATION;
STABILITY;
TIN;
MAGNETISM;
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EID: 84872718350
PISSN: 12932558
EISSN: None
Source Type: Journal
DOI: 10.1016/j.solidstatesciences.2012.12.005 Document Type: Article |
Times cited : (9)
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References (48)
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