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Showing 1 to 3 of 3 for “"Bandstrukturberechnung"”.
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An embedding green function approach for electron transport through interfaces
In this thesis a new method is established, based on the combination of the embedding Green function method and the full-potential linearized augmented plane-wave (FLAPW) method, to describe the coherent and the sequential electron transport. By the use of the density functional theory realistic …
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An efficient full-potential linearized augmented plane wave electronic structure method for charge and spin transport through realistic nanoferronic junctions
Two extensions of the FLAPW electronic structure method are presented, which allow the efficient computation of charge and spin transport properties in realistic nanoferronic materials and nanostructures. First, an order-N implementation of the FLAPW method is presented, which allows the efficient …
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All-electron GW calculations for perovskite transition metal oxides
Ever since the middle of the 1920s, when compounds from the perovskite structure family played a key role in the groundbreaking work of Goldschmidt on material synthesis, perovskite transition-metal oxides (TMOs) have repeatedly stimulated new activities in fundamental research as well as in the …