A Tight Binding Monte Carlo Simulation Approach to the Cohesive Energy of Amorphous Metallic Alloys
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AbstractWe present microscopic calculations of the cohesive energy of amorphous metallic alloys. Our method is based on a tight-binding and Monte Carlo simulation approaches to calculate the equilibrium atomic structure. The same model tight-binding Hamiltonian is then used to calculate electronic structure and energy using a Bethe-Cluster approximation.
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2014 ◽
Vol 10
(1)
◽
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