TY  - THES
A1  - Li, Ying
T1  - Electronic and magnetic properties of candidate materials for Kitaev physics using a Combination of density functional theory and many-body methods
N2  - Great interest has emerged recently in the search for Kitaev spin liquid states in real materials. Such states rely on strongly anisotropic magnetic interactions, which have been suggested to exist in a number of candidate materials based on Ir and Ru. This thesis concentrates on two priority purposes. The first is the investigation of electronic and magnetic properties of candidate materials Na2IrO3, α-Li2IrO3, α-RuCl3, γ-Li2IrO3, and Ba3YIr2O9 for Kitaev physics where both spin-orbit coupling and correlation effects are important. The second is the method development for the microscopic description of correlated materials combining many-body methods and density functional theory (DFT). ...
Y1  - 2016
UR  - http://publikationen.ub.uni-frankfurt.de/frontdoor/index/index/docId/44041
UR  - https://nbn-resolving.org/urn:nbn:de:hebis:30:3-440417
CY  - Frankfurt am Main
ER  -