Sökning: "PW91"
Hittade 1 uppsats innehållade ordet PW91.
1. Stability of monoatomic nanowires : a first-principles study
Uppsats för yrkesexamina på grundnivå, Teoretisk FysikSammanfattning : Monoatomic chain formation for Ag, Au, Pd and Pt has been investigated using a model for the tip structure. First-principles calculations, mostly spin polarized, were performed within the framework of the Density Functional theory. Results are presented and discussed on the basis of the electronic structure. LÄS MER
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