Search for dissertations about: "LMTO-ASA"
Found 3 swedish dissertations containing the word LMTO-ASA.
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1. Electronic effects at metallic surfaces and interfaces : image-state formation and charge redistribution
Abstract : .... READ MORE
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2. Electronic structure and exchange interactions from ab initio theory : New perspectives and implementations
Abstract : In this thesis, the magnetic properties of several materials were investigated using first principle calculations. The ab initio method named real space linear muffin-tin orbitals atomic sphere approximation (RS-LMTO-ASA) was used to calculate the electronic structure and magnetic properties of bulk systems, surface and nanostructures adsorbed on surfaces. READ MORE
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3. Structure and stability trends in the platinum metal-silicon systems
Abstract : The stability of group 8-10 silicides has been studied by LMTO-ASA band structurecalculations. In the Rh-Si and Ir-Si systems the lowest calculated heat of formation isfound in compounds near the equiatomic composition. READ MORE