Dresden 2014 – scientific programme
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TT: Fachverband Tiefe Temperaturen
TT 80: Low-Dimensional Systems - Poster Session
TT 80.1: Poster
Wednesday, April 2, 2014, 15:00–19:00, P2
Engineering of low-energy models for topological insulators with d-electrons — •Martin Edelmann, Michael Karolak, and Giorgio Sangiovanni — Institut für Theoretische Physik und Astrophysik, Universität Würzburg, 97074 Würzburg
We present ab-initio calculations performed on Nickel-based bulk materials and heterostructures via density-functional-theory (DFT). We explore different geometries and heterostructures, focussing on cases with eg-orbitals. This constitutes the first step for upcoming many-body calculations to possibly realize a topological state with d-orbitals.
In our first DFT-calculations, the in-plane lattice parameters were changed in order to match different substrates and explore the possibility of realizing a band-insulator. Another road to this goal is the introduction of one (or multiple) insulating planes in between the bulk material to create a heterostructure and suppress inter-orbital hopping.
We discuss the Wannier projection procedure to obtain the minimal low-energy one-body Hamiltonian which will serve as an input for the many-body calculations.