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Surface relaxation and surface energy of face –centered Cubic metals
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نویسنده
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AGHEMENLO H.E. ,Iyayi S.E. ,AVWIRI G.O.
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منبع
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journal of applied sciences and environmental management - 2006 - دوره : 10 - شماره : 1 - صفحه:37 -42
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چکیده
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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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آدرس
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Ambrose Alli University, Department of Physics, Nigeria, University of Benin, Department of Physics, Nigeria, Ambrose Alli University, Department of Physics, Nigeria. University of Port Harcourt, Department of Physics, Nigeria
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Authors
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