Please use this identifier to cite or link to this item:
Type: Artigo de periódico
Title: Electronic Structure Of The (130) Symmetrical Tilt Grain Boundary In An Fcc Metal
Author: De Silva C.E.T.G.
Abstract: We discuss the electronic structure of a grain boundary in a metal, using a tight-bindings s-like Hamiltonian. We consider the symmetrical tilt boundary in an fcc crystal, with a misorientation angle of 36°52′ between the 100 axis of the grains. Two different microscopic models, obtained by computer simulation techniques, and corresponding to the same macroscopic boundary parameters, are studied. The calculation indicates the presence of localized states associated with the boundary. Rudimentary relaxation is introduced to restore charge neutrality at the boundary. The band-energy contribution to the specific boundary energy is evaluated. © 1980 The American Physical Society.
Rights: aberto
Identifier DOI: 10.1103/PhysRevB.22.5945
Date Issue: 1980
Appears in Collections:Unicamp - Artigos e Outros Documentos

Files in This Item:
File Description SizeFormat 
2-s2.0-35949021102.pdf523.92 kBAdobe PDFView/Open

Items in DSpace are protected by copyright, with all rights reserved, unless otherwise indicated.