Anomalous cation-cation interactions in molten CuI: Ab initio molecular-dynamics simulations

Journal of the Physical Society of Japan

Volumn 73, Issue 8, 2004, Pages 2148-2153

  Shimojo, Fuyuki ^a   Aniya, Masaru ^a   Hoshino, Kozo ^b  

^a KUMAMOTO UNIVERSITY   (Japan)

^b HIROSHIMA UNIVERSITY   (Japan)

Author keywords

CuI; Density functional theory; Electronic states; Liquid; Molten state; Pseudopotential; Simulation

Indexed keywords

CATION; COPPER DERIVATIVE; COPPER IODIDE; IODINE DERIVATIVE; UNCLASSIFIED DRUG;

AB INITIO CALCULATION; ARTICLE; CHEMICAL ANALYSIS; CHEMICAL STRUCTURE; CORRELATION ANALYSIS; COVALENT BOND; ELECTRONICS; MATERIALS; MATERIALS TESTING; MOLECULAR DYNAMICS; MOLECULAR INTERACTION; SIMULATION;

EID: 20044369989     PISSN: 00319015     EISSN: None     Source Type: Journal    
DOI: 10.1143/JPSJ.73.2148     Document Type: Article

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