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Journal of Applied Sciences and Environmental Management
World Bank assisted National Agricultural Research Project (NARP) - University of Port Harcourt
ISSN: 1119-8362
Vol. 10, No. 1, 2006, pp. 37-42
Bioline Code: ja06006
Full paper language: English
Document type: Research Article
Document available free of charge

Journal of Applied Sciences and Environmental Management, Vol. 10, No. 1, 2006, pp. 37-42

 en Surface relaxation and surface energy of face -centered Cubic metals
AGHEMENLO HE; IYAYI, S E; AVWIRI,G O

Abstract

Surface relaxation and surface energy are calculated for Rh, Ir, Pb, Ca, Sr, and Th, for three low-index surfaces, using the equivalent crystal theory (ECT) method. The surfaces are the (100), (110) and (111) faces. In this study, we only considered perpendicular relaxation where the relaxation was determined by the minimization of the total energy. The results obtained are analyzed with good agreement to experiment and first - principles calculations where available.

 
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