Study of the Zn occupancy leading to the stability improvement for Cu 6Sn5 using a first-principles approach

Materials Letters

Volumn 93, Issue , 2013, Pages 300-303

  Shao, Wei Quan ^a,b   Yu, Chi Yang ^b   Lu, Wen Cai ^a   Duh, Jenq Gong ^b   Chen, Sha Ou ^a  

^a QINGDAO UNIVERSITY   (China)

^b NATIONAL TSING HUA UNIVERSITY   (Taiwan)

Author keywords

Electronic structure; Intermetallic alloys and compounds; Phase stability; Simulation and modelling; The first principles

Indexed keywords

DENSITY OF STATE; DOMINANT FACTOR; FIRST-PRINCIPLES APPROACHES; INTERMETALLIC ALLOYS AND COMPOUNDS; MONOCLINIC STRUCTURES; RELATIVE STABILITIES; SIMULATION AND MODELLING; STABILITY IMPROVEMENT; STABLE STRUCTURES; THE FIRST PRINCIPLES; ZN ATOMS; ZN DOPING;

ELECTRONIC STRUCTURE; MODAL ANALYSIS; PHASE STABILITY; TIN; ZINC ALLOYS;

ZINC;

EID: 84871820733     PISSN: 0167577X     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.matlet.2012.11.102     Document Type: Article

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