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Extension of a New Semiempirical Method (BFS) and the Study of Ground State Properties of Binary Alloys
Published online by Cambridge University Press: 01 January 1992
Abstract
We extend the method of Bozzolo, Ferrante and Smith (BFS) for the study of alloy energetics to include a description of the local environment in specific ordered structures. The concept of bond-diagrams is introduced and applied to fcc binary compounds. A simple example of the parameterization of the bond-diagrams is done with reference to available first-principles calculations of Ni-Pt ordered alloys.
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- Copyright © Materials Research Society 1993
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