Electronic structure of bismuth telluride quasi-two-dimensional crystal: A first principles study
2011 (English)In: Applied Physics Letters, ISSN 0003-6951, E-ISSN 1077-3118, Vol. 98, no 8, 083113- p.Article in journal (Refereed) Published
The electronic structures of atomically thin layers of bismuth telluride (Bi2Ti3) have been studied by using density functional theory. It is found that quintuple layers of Bi2Te3 are semiconductor with localized shallow bands. The weak covalent Bi-Te-2 interaction in quintuple layer allows to further exfoliate it to form bilayer and trilayer sheets. In the latter cases, the valence electrons cannot fully occupy all the valence bands and the sheets become metallic.
Place, publisher, year, edition, pages
2011. Vol. 98, no 8, 083113- p.
TOTAL-ENERGY CALCULATIONS, WAVE BASIS-SET, TOPOLOGICAL INSULATORS, THERMOELECTRIC FIGURE, QUANTUM, SURFACE, BI2TE3, MERIT
IdentifiersURN: urn:nbn:se:kth:diva-31379DOI: 10.1063/1.3556654ISI: 000287764300077ScopusID: 2-s2.0-79952094720OAI: oai:DiVA.org:kth-31379DiVA: diva2:403861
QC 201103152011-03-152011-03-142016-04-25Bibliographically approved