Electronic structure and energetics of LaNi5, α-La2Ni10H and β-La2Ni10H14

Journal of Alloys and Compounds

Volumn 281, Issue 2, 1998, Pages 81-91

  Nakamura, H ^a   Nguyen Manh, D ^a   Pettifor, D G ^a  

^a UNIVERSITY OF OXFORD   (United Kingdom)

Author keywords

Electronic structure; Heat of formation; LaNi5 hydride; Preferred site occupancy; TB LMTO ASA

Indexed keywords

CALCULATIONS; ELECTRONIC STRUCTURE; HYDRIDES; HYDROGEN; NICKEL ALLOYS; QUANTUM THEORY; THERMODYNAMIC PROPERTIES;

ATOMIC SPHERE APPROXIMATION; HEAT OF FORMATION; TIGHT-BINDING LINEAR MUFFIN-TIN ORBITAL METHOD;

LANTHANUM ALLOYS;

EID: 0032310039     PISSN: 09258388     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0925-8388(98)00794-4     Document Type: Article

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