Regensburg 2019 – wissenschaftliches Programm
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O: Fachverband Oberflächenphysik
O 62: Poster Wednesday: Topology and Symmetry-Protected Materials
O 62.3: Poster
Mittwoch, 3. April 2019, 17:45–20:00, Poster B1
Theoretical study of the candidate material for type-II Weyl semimetal MoTe2 using relativistic KKR method — •Ryota Ono1, Yoshitaka Nakata1, Alberto Marmodoro2, Jan Minár3, Hubert Ebert2, Kazuyuki Sakamoto4, and Peter Krüger4 — 1Department of Materials Science (Frontier Science Program), Graduate School of Science and Engineering, Chiba University, Chiba 263-8522, Japan — 2Department of Chemistry, University of Munich, Butenandstr. 5-13, D-81377 München, Germany — 3University of West Bohemia, New Technologies - Research Center, Univerzitni 8, 306 14 Plzeň, Czech Republic — 4Graduate School of Science and Engineering and Molecular Chirality Research Center, Chiba University, Chiba 263-8522, Japan
Topological Weyl semimetals (TWS) are examples of Dirac materials, in which relativistic and quantum mechanical effects give rise to new physical features such as chiral anomaly in the transport of charged particles, giant anomalous Hall effect and emergence of Weyl fermions. TWSs can be classified into type-I and type-II according to whether they respect Lorenz invariance. MoTe2 is a transition metal dichalcogenide (TMDC) and forms many phases, among which the Td phase has been proposed as a candidate material for a type-II Weyl semimetal. Here we calculated the electronic structure of Td MoTe2 and explored its band structure around a Weyl point. Using the spin polarized relativistic KKR method, we also calculated ARPES in the one-step model which takes into account all matrix, surface and final state photoemission effects. The results are compared with experiment.