The semiconductor-metal transition in fluid selenium: An ab initio molecular-dynamics simulation

Journal of Physics Condensed Matter

Volumn 10, Issue 6, 1998, Pages 1199-1210

  Shimojo, Fuyuki ^a   Hoshino, Kozo ^a   Watabe, Mitsuo ^a   Zempo, Y ^b  

^a HIROSHIMA UNIVERSITY   (Japan)

^b SUMITOMO CHEMICAL CO LTD   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

BONDING; CHEMICAL BONDS; COMPUTER SIMULATION; ENERGY GAP; FERMI LEVEL; MOLECULAR DYNAMICS; SEMICONDUCTING SELENIUM; STRUCTURE (COMPOSITION); THERMAL EFFECTS;

ANTI BONDING STATE; CHAIN LIKE STRUCTURE; GENERALIZED GRADIENT CORRECTED DENSITY FUNCTIONAL THEORY; MOLECULAR DYNAMIC SIMULATION; SEMICONDUCTOR METAL TRANSITION;

PHASE TRANSITIONS;

EID: 0031999481     PISSN: 09538984     EISSN: None     Source Type: Journal    
DOI: 10.1088/0953-8984/10/6/003     Document Type: Article

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