1 Department of Physics and Astronomy, Science and Technology, Aarhus University2 Interdisciplinary Nanoscience Center - INANO-Fysik, Ny Munkegade, Interdisciplinary Nanoscience Center, Science and Technology, Aarhus University3 unknown4 Department of Physics and Astronomy, Science and Technology, Aarhus University
The bulk band structure of Bi2Te3 has been determined by angle-resolved photoemission spectroscopy and compared to first-principles calculations. We have performed calculations using the local density approximation (LDA) of density functional theory and the one-shot GW approximation within the all-electron full-potential linearized augmented-plane-wave (FLAPW) formalism, fully taking into account spin-orbit coupling. Quasiparticle effects produce significant changes in the band structure of Bi2Te3 when compared to LDA. Experimental and calculated results are compared in the spectral regions where distinct differences between the LDA and GW results are present. Overall a superior agreement with GW is found, highlighting the importance of many-body effects in the band structure of this family of topological insulators.
Physical Review B (condensed Matter and Materials Physics), 2014, Vol 90