Electronic and optical properties of high pressure stable phases of ZnS: Comparison of FPLAPW and PW-PP results

Optics Communications

Volumn 284, Issue 1, 2011, Pages 20-26

  Gupta, S K ^a   Kumar, S ^a   Auluck, S ^b  

^a M J P ROHILKHAND UNIVERSITY   (India)

^b INDIAN INSTITUTE OF TECHNOLOGY KANPUR   (India)

Author keywords

Electronic structure; FPLAPW; GGA; Optical properties; PW PP

Indexed keywords

BAND GAPS; COMPLEX DIELECTRIC FUNCTIONS; FIRST-PRINCIPLES; FP-LAPW; FP-LAPW METHOD; FULL POTENTIAL LINEAR AUGMENTED PLANE WAVES; GGA; HIGH PRESSURE; MEASURED DATA; PHASE TRANSFORMATION; PLANE WAVE; PSEUDOPOTENTIALS; PW-PP; RED SHIFT; ROCK SALT; ROCK-SALT STRUCTURE; S STATE; STABLE PHASIS; STRUCTURAL PARAMETER; STRUCTURAL PHASE TRANSFORMATIONS; THEORETICAL STUDY; THREE PHASIS; TRANSITION PRESSURE; VALENCE STATE; ZINC-BLENDE;

ELASTIC WAVES; ELECTRON MOBILITY; ELECTRONIC PROPERTIES; ELECTRONIC STRUCTURE; ENERGY GAP; LATTICE CONSTANTS; LINEAR TRANSFORMATIONS; STRUCTURAL PROPERTIES; ZINC; ZINC SULFIDE;

OPTICAL PROPERTIES;

EID: 78649675115     PISSN: 00304018     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.optcom.2010.08.046     Document Type: Article

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