Abstract
The bulk band structure of 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 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 when compared to LDA. Experimental and calculated results are compared in the spectral regions where distinct differences between the LDA and results are present. Overall a superior agreement with is found, highlighting the importance of many-body effects in the band structure of this family of topological insulators.
- Received 13 March 2014
- Revised 16 June 2014
DOI:https://doi.org/10.1103/PhysRevB.90.075105
©2014 American Physical Society