Bonding properties of liquid tellurium under pressure: A maximally localized Wannier function approach with ultrasoft pseudopotentials

Journal of the Physical Society of Japan

Volumn 72, Issue 10, 2003, Pages 2417-2420

  Shimojo, Fuyuki ^a   Hoshino, Kozo ^b   Zempo, Y ^c  

^a KUMAMOTO UNIVERSITY   (Japan)

^b HIROSHIMA UNIVERSITY   (Japan)

^c SUMITOMO CHEMICAL CO LTD   (Japan)

Author keywords

Density functional theory; Electronic states; High pressure; Liquid; Pseudopotential; Simulation; Tellurium

Indexed keywords

CHALCOGEN; TELLURIUM;

AB INITIO CALCULATION; ARTICLE; CHEMICAL BINDING; CHEMICAL STRUCTURE; COVALENT BOND; DENSITY FUNCTIONAL THEORY; MOLECULAR DYNAMICS; PRESSURE; SIMULATION;

EID: 0242541729     PISSN: 00319015     EISSN: None     Source Type: Journal    
DOI: 10.1143/JPSJ.72.2417     Document Type: Article

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