First-principles study on structural stability of 3d transition metal alloying magnesium hydride

Transactions of Nonferrous Metals Society of China (English Edition)

Volumn 16, Issue 1, 2006, Pages 23-32

  Zhou, Dian Wu ^a   Peng, Ping ^a   Liu, Jin Shui ^a   Chen, Lu ^a   Hu, Yan Jun ^a  

^a HUNAN UNIVERSITY   (China)

Author keywords

Electronic structure; Heat formation; Magnesium hydride; Plane wave pseudopotential theory

Indexed keywords

ALLOYING ELEMENTS; CALCULATIONS; DEHYDROGENATION; ELECTRONIC STRUCTURE; HYDRIDES; STABILITY; TRANSITION METALS;

3D TRANSITION METAL ELEMENTS; DENSITIES OF STATES (DOS); FIRST PRINCIPLES PLANE WAVE PSEUDOPOTENTIAL THEORY; MAGNESIUM HYDRIDE; NEGATIVE HEAT FORMATION; STRUCTURAL STABILITY;

MAGNESIUM COMPOUNDS;

EID: 33745182293     PISSN: 10036326     EISSN: None     Source Type: Journal    
DOI: 10.1016/S1003-6326(06)60005-8     Document Type: Article

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