Wannier functions from Bloch orbitals in solids
Independent thesis Basic level (degree of Bachelor), 10 credits / 15 HE creditsStudent thesis
Wannierfunctions are a superposition of the Blochorbitals in a Brillouin zone belonging to a manifold of energy bands. These Wannier functions have several uses regarding the analysis of the crystal on a local level. Since the Bloch orbital has a gauge indeterminacy and the Wannier functions therefore is strongly non-unique, the natural choice is the maximally localized Wannier funcition. These can be calculated from the standard Bloch orbital using unitary transformation by a steepest descent algorithm as proposed by Nicola Marzari and David Vanderbilt. Here the argument for this algorithm is discussed and explained.
Place, publisher, year, edition, pages
2013. , 32 p.
Wannier function, Wannier functions, Bloch orbital, Bloch orbitals
IdentifiersURN: urn:nbn:se:uu:diva-202140OAI: oai:DiVA.org:uu-202140DiVA: diva2:631027
Bachelor Programme in Physics
UppsokPhysics, Chemistry, Mathematics