First-principle studies of Ca-X (X=Si,Ge,Sn,Pb) intermetallic compounds

Journal of Solid State Chemistry

Volumn 183, Issue 1, 2010, Pages 136-143

  Yang, Zhiwen ^a   Shi, Dongmin ^a   Wen, Bin ^a   Melnik, Roderick ^b   Yao, Shan ^a   Li, Tingju ^a  

^a DALIAN UNIVERSITY OF TECHNOLOGY   (China)

^b WILFRID LAURIER UNIVERSITY   (Canada)

Author keywords

Band structures; Elastic properties; First principle calculations; Heats of formation; Intermetallics

Indexed keywords

ABSOLUTE VALUES; ATOMIC WEIGHTS; BAND GAPS; BULK MODULUS; COMPUTATIONAL RESULTS; DENSITIES OF STATE; DIRECT BAND GAP SEMICONDUCTORS; ELASTIC PROPERTIES; ELECTRONIC ENERGIES; FIRST PRINCIPLE CALCULATIONS; FIRST-PRINCIPLE STUDY; HEATS OF FORMATION; INDIRECT BAND GAP; INTERMETALLIC COMPOUNDS;

CHEMICAL ELEMENTS; ELASTICITY; ELECTRONIC DENSITY OF STATES; ELECTRONIC STRUCTURE; ENERGY GAP; GERMANIUM; LEAD; LEAD COMPOUNDS; SEMICONDUCTING INTERMETALLICS; SILICON; STRUCTURAL PROPERTIES; TIN;

CALCIUM;

EID: 73149095382     PISSN: 00224596     EISSN: 1095726X     Source Type: Journal    
DOI: 10.1016/j.jssc.2009.11.007     Document Type: Article

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