Theoretical investigations of the effect of vacancies on the geometric and electronic structures of zinc sulfide

Physica B: Condensed Matter

Volumn 407, Issue 18, 2012, Pages 3888-3892

  Yao, Jinhuan ^a   Li, Yanwei ^a   Li, Ning ^a   Le, Shiru ^b  

^a GUILIN UNIVERSITY OF TECHNOLOGY   (China)

^b HARBIN INSTITUTE OF TECHNOLOGY   (China)

Author keywords

Electronic structure; First principles calculation; Geometric structure; Vacancy; ZnS

Indexed keywords

CELL VOLUME; FIRST-PRINCIPLES CALCULATION; FORMATION ENERGIES; GEOMETRIC STRUCTURE; PLANE WAVE; POPULATION ANALYSIS; THEORETICAL INVESTIGATIONS; ULTRASOFT PSEUDOPOTENTIALS; ZINC BLENDE; ZNS; ZNS CRYSTALS;

CALCULATIONS; DENSITY FUNCTIONAL THEORY; ELECTRONIC STRUCTURE; ENERGY GAP; GEOMETRY; VACANCIES; ZINC;

ZINC SULFIDE;

EID: 84863988127     PISSN: 09214526     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.physb.2012.06.016     Document Type: Article

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