Original title: Application of ab initio electronic structure calculations to grain boundary structure
Authors: Šob, Mojmír ; Turek, Ilja ; Wang, L. G. ; Vitek, V.
Document type: Papers
Conference/Event: International Metallurgical and Materials Conference METAL 2001 /10./, Ostrava (CZ), 2001-05-15 / 2001-05-17
Year: 2001
Language: eng
Abstract: State-of-the-art electronic structure methods are briefly characterized and their application to electronic structure of certain grain boundaries in tungsten and iron as well as to magnetic behaviour of Ru and Rh overlayers on the Ag(001) substrate is shown.
Keywords: ab initio calculations; electronic structure; grain boundaries
Project no.: CEZ:AV0Z2041904 (CEP), GA106/99/1178 (CEP), GA202/00/0122 (CEP), IAA1010817 (CEP), OC P3.10, DEFG0298ER45702 (CEP)
Funding provider: GA ČR, GA ČR, GA AV ČR, GA MŠk, -
Host item entry: Metal 2001 - Proceedings of the 10th International Metallurgical and Materials Conference

Institution: Institute of Physics of Materials AS ČR (web)
Document availability information: Fulltext is available at the institute of the Academy of Sciences.
Original record: http://hdl.handle.net/11104/0074506

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