Application of ab initio electronic structure calculations to grain boundary structure

0177587 - UFM-A 20013231 RIV SIGLE CZ eng C - Conference Paper (international conference)
Šob, Mojmír - Turek, Ilja - Wang, L. G. - Vitek, V.
Application of ab initio electronic structure calculations to grain boundary structure.
Metal 2001 - Proceedings of the 10th International Metallurgical and Materials Conference. Ostrava: Tanger, 2001, s. 1-9.
[International Metallurgical and Materials Conference METAL 2001 /10./. Ostrava (CZ), 15.05.2001-17.05.2001]
R&D Projects: GA ČR GA106/99/1178; GA ČR GA202/00/0122; GA AV ČR IAA1010817; GA MŠMT OC P3.10
Grant - others:-(US) DEFG0298ER45702
Institutional research plan: CEZ:AV0Z2041904
Keywords : electronic structure * grain boundaries * ab initio calculations
Subject RIV: BM - Solid Matter Physics ; Magnetism

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.
Permanent Link: http://hdl.handle.net/11104/0074506