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Showing 1 to 1 of 1 for “"tight binding for metals"”.
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Modeling The Atomic And Electronic Structure Of Metal-Metal, Metal-Semiconductor And Semiconductor-Oxide Interfaces
… In this thesis, a combination of Semi Empirical Tight-Binding (TB), first-principles Density</p> <p>Functional Theory and Reactive Molecular Dynamics (MD) modeling is used to study aspects of the electronic and atomic structure of three such 'canonical' material interfaces - Metal-Metal, …