PGI-1 Seminar: Domenico Di Sante
Engineering Topological Properties in rocksalt chalcogenides and the Role of Disorder in the Spectral Features of Topological Crystalline Insulator Alloys
- 07.May.2014 11:30
- PGI Lecture Hall
University of L'Aquila, Italy
By means of a comprehensive theoretical investigation, we show that external pressure and strain can induce topological phase transitions in IV–VI semiconducting chalcogenides with a rocksalt structure. We show that the band inversions at high-symmetry points in the Brillouin zone that are related by mirror symmetry are brought about by an “asymmetric” hybridization between cation and anion sp orbitals. By working out the microscopic conditions to be fulﬁlled in order to maximize this hybridization, we identify materials in the rocksalt chalcogenide class that are prone to undergo a topological phase transition induced by pressure and/or alloying. Furthermore, the role of disorder in the relativistic spectral properties of disordered topological crystalline insulators is investigated by means of hybrid functional DFT+CPA calculations.
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