Ab initio electronic structure calculation for single-component molecular conductor Au(tmdt)2 (tmdt = trimethylenetetrathiafulvalenedithiolate)

Journal of the Physical Society of Japan

Volumn 74, Issue 3, 2005, Pages 843-846

  Ishibashi, Shoji ^a   Tanaka, Hisashi ^a   Kohyama, Masanori ^a   Tokumoto, Madoka ^a,d   Kobayashi, Akiko ^b   Kobayashi, Hayao ^c,e   Terakura, Kiyoyuki ^d  

^a NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY AIST   (Japan)

^b UNIVERSITY OF TOKYO   (Japan)

^c INSTITUTE FOR MOLECULAR SCIENCE   (Japan)

^d HOKKAIDO UNIVERSITY   (Japan)

^e JAPAN SCIENCE AND TECHNOLOGY AGENCY   (Japan)

Author keywords

Ab initio calculation; Au(tmdt)2; Electronic structure; Fermi surface; Single component molecular conductor

Indexed keywords

EID: 24644432075     PISSN: 00319015     EISSN: None     Source Type: Journal    
DOI: 10.1143/JPSJ.74.843     Document Type: Article

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