A DFT study of structural and electronic properties of ZnS polymorphs and its pressure-induced phase transitions

Journal of the American Ceramic Society

Volumn 97, Issue 12, 2014, Pages 4011-4018

  La Porta, Felipe A ^a,b   Gracia, Lourdes ^b   Andrés, Juan ^b   Sambrano, Júlio R ^a   Varela, Jose A ^a   Longo, Elson ^a  

^a SÃO PAULO STATE UNIVERSITY UNESP   (Brazil)

^b UNIVERSITAT JAUME I   (Spain)

Author keywords

[No Author keywords available]

Indexed keywords

BINDING ENERGY; ELECTRONIC PROPERTIES; EQUATIONS OF STATE; ZINC; ZINC SULFIDE;

COORDINATION NUMBER; DENSITY FUNCTIONAL FORMALISM; EQUATION OF STATE; FIRST-PRINCIPLES INVESTIGATIONS; HEXAGONAL WURTZITE; PRESSURE DEPENDENCE; PRESSURE-INDUCED PHASE TRANSITION; STRUCTURAL AND ELECTRONIC PROPERTIES;

PHASE TRANSITIONS;

EID: 84907061931     PISSN: 00027820     EISSN: 15512916     Source Type: Journal    
DOI: 10.1111/jace.13191     Document Type: Article

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