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Pressure-induced topological insulating behavior in the ternary chalcogenide Ge(2)Sb(2)Te(5)
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2011 (English)In: Physical Review B. Condensed Matter and Materials Physics, ISSN 1098-0121, E-ISSN 1550-235X, Vol. 84, no 8, 085130- p.Article in journal (Refereed) Published
Abstract [en]

We unraveled the pressure-induced topological insulating behavior in Ge(2)Sb(2)Te(5) (GST) by means of ab initio calculations. We have shown that the spin-orbit interaction separates the twofold degenerate Ge p(x)p(y) Sb p(x)p(y) Te p(x)p(y) state to an upper and a lower level and enhances the energy level of Ge s Sb s Te p(z)/Ge p(z) Sb p(z) Te s states. Consequently, the sign of parity changes by inversing the characterizations of conduction band minimum and valence band maximum in a certain range of pressures. Moreover, the surface band structure with the Dirac cone feature was observed. The present results suggest that GST-relatedmaterials are a new family of pressure-induced topological insulators.

Place, publisher, year, edition, pages
2011. Vol. 84, no 8, 085130- p.
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Physical Sciences
URN: urn:nbn:se:uu:diva-158898DOI: 10.1103/PhysRevB.84.085130ISI: 000294325400005OAI: oai:DiVA.org:uu-158898DiVA: diva2:441821
Available from: 2011-09-19 Created: 2011-09-19 Last updated: 2012-03-05Bibliographically approved

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Ahuja, Rajeev
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Materials Theory
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