Sökning: "Nicola Spaldin"
Hittade 2 avhandlingar innehållade orden Nicola Spaldin.
1. Materials Design from First Principles : stability and magnetism of nanolaminates
Sammanfattning : In this thesis, first-principles calculations within density functional theory are presented, with a principal goal to investigate the phase stability of so called Mn+1AXn (MAX) phases. MAX phases are a group of nanolaminated materials comprised of a transition metal (M), a group 12-16 element (A), and carbon or nitrogen (X). LÄS MER
2. Ab initio Studies on Exchange Interactions in Metals and Correlated Oxides
Sammanfattning : A report is given on the implementation of a frozen magnon technique in the FLAPW code FLEUR, showing that the procedure reduced computational costs compared with a previously implemented method, while delivering accurate results. Furthermore a generalisation was made of the well known one lattice formula that connects the total energy differences of spin-spirals to the adiabatic magnon excitation energies to multiple lattice systems. LÄS MER