Sökning: "Susanne Mirbt"
Visar resultat 1 - 5 av 9 avhandlingar innehållade orden Susanne Mirbt.
Sammanfattning : .... LÄS MER
Sammanfattning : This thesis concerns methods for electronic structure calculations and some applications of the methods. The augmented planewave (APW) basis set and it’s relatives LAPW (linearised APW) and APW+lo (local orbitals) have been widely used for electronic structure calculations. LÄS MER
3. Theoretical Investigations of Two-Dimensional Materials : Studies on Electronic, Magnetic, Mechanical, and Thermal Properties
Sammanfattning : Two-dimensional (2D) materials have been paid enormous attention since the first realization of graphene in 2004, in connection to high-speed flexible electronics, 2D magnetism, optoelectronics, and so on. Apart from graphene, many new 2D materials with special properties have been predicted and synthesized. LÄS MER
Sammanfattning : In this thesis the conductivity of strained materials has been investigated using density functional theory and a semiclassical transport theory based on the Boltzmann equation.In transition metals trends are reproduced without adjustable parameters. LÄS MER
Sammanfattning : In this thesis point defects in semiconductors are studied by electronic structure calculations. Results are presented for the stability and equilibrium concentrations of native defects in GaP, InP, InAs, and InSb, for the entire range of doping conditions and stoichiometry. LÄS MER