Structural and electronic properties of liquid arsenic sulfide at high temperatures: Ab initio molecular-dynamics simulations

Journal of the Physical Society of Japan

Volumn 74, Issue 2, 2005, Pages 621-625

  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

Arsenic; Chalcogenide; Density functional theory; Electronic states; Liquid; Pseudopotential; Simulation; Structure; Sulfide

Indexed keywords

EID: 24644478191     PISSN: 00319015     EISSN: None     Source Type: Journal    
DOI: 10.1143/JPSJ.74.621     Document Type: Article

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