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Volumn 17, Issue 1, 2007, Pages 118-123

First principles calculation on Mg2Ni alloy and its hydride electronic structure and bond characteristics

Author keywords

Bond characteristics; Electronic structures; Mg2Ni; Mg2NiH4

Indexed keywords

CALCULATIONS; ELECTRONIC STRUCTURE; MAGNESIUM ALLOYS; NICKEL ALLOYS; PHASE TRANSITIONS;

EID: 34147095340     PISSN: 10040609     EISSN: None     Source Type: Journal    
DOI: None     Document Type: Article
Times cited : (6)

References (14)
  • 2
    • 0030855596 scopus 로고    scopus 로고
    • 2Ni-H system synthesized by reactive mechanical grinding
    • 2Ni-H system synthesized by reactive mechanical grinding[J]. Acta Materialia, 1997, 45: 331-341.
    • (1997) Acta Materialia , vol.45 , pp. 331-341
    • Orimo, S.1    Fujii, F.2    Ikeda, K.3
  • 6
    • 11944256577 scopus 로고
    • Iterative minimization techniques for ab initio total-energy calculations: molecular dynamics and conjugate gradients
    • Payne M C, Teter M P, Allan D C, Arias T A, Joannopoulos J D. Iterative minimization techniques for ab initio total-energy calculations: molecular dynamics and conjugate gradients[J]. Rev Mod Phys, 1992, 64: 1045-1097.
    • (1992) Rev Mod Phys , vol.64 , pp. 1045-1097
    • Payne, M.C.1    Teter, M.P.2    Allan, D.C.3    Arias, T.A.4    Joannopoulos, J.D.5
  • 7
    • 4243943295 scopus 로고    scopus 로고
    • Generalized gradient approximation made simple
    • Perdew J P, Burke K, Ernzerhof M. Generalized gradient approximation made simple[J]. Phys Rev Lett, 1996, 77: 3865-3868.
    • (1996) Phys Rev Lett , vol.77 , pp. 3865-3868
    • Perdew, J.P.1    Burke, K.2    Ernzerhof, M.3
  • 9
    • 0001058220 scopus 로고
    • 4 studied by elastic and inelastic neutron scattering
    • 4 studied by elastic and inelastic neutron scattering[J]. J Chem Phys, 1983, 78: 2419-2427.
    • (1983) J Chem Phys , vol.78 , pp. 2419-2427
    • Noreus, D.1    Olsson, L.G.2
  • 13


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.