Sökning: "LMTO-ASA"
Hittade 3 avhandlingar innehållade ordet LMTO-ASA.
1. Electronic effects at metallic surfaces and interfaces : image-state formation and charge redistribution
Sammanfattning : .... LÄS MER
2. Electronic structure and exchange interactions from ab initio theory : New perspectives and implementations
Sammanfattning : 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. LÄS MER
3. Structure and stability trends in the platinum metal-silicon systems
Sammanfattning : 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. LÄS MER