Surface relaxation and surface energy of face–centered cubic metals

  • HE Aghemenlo Department of Physics, Ambrose Alli University, Ekpoma, Nigeria
  • SE Iyayi Department of Physics, University of Benin, Benin City, Nigeria
  • GO Avwiri Department of Physics, University of Port Harcourt, PH, Nigeria

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.

Journal of Applied Sciences and Environmental Management Vol. 10(1) 2006: 37-42
Published
2006-06-06
Section
Articles

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print ISSN: 1119-8362