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American Physical Society, Physical review B, 12(89)

DOI: 10.1103/physrevb.89.121117

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Predicted topological phase transition in the SmS Kondo insulator under pressure

Journal article published in 2014 by Zhi Li, Jin Li, Peter Blaha ORCID, Nicholas Kioussis
This paper is available in a repository.
This paper is available in a repository.

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Abstract

Employing density functional calculations we predict that SmS undergoes a topological phase transition from the trivial Kondo insulator (KI) black phase to a topological metallic gold phase under hydrostatic pressure. The underlying mechanism is the pressure-induced change of the 4f level from below to above the bottom of the 5d conduction band, leading to a d-f band inversion, a parity sign reversal, and the concomitant change of the topological invariant ν0. This provides a material realization of the topological classification of KIs proposed by Dzero et al.