Theoretical study of electronic structures of Bi2Te 3/Sb2Te3 superlattices

Hong Li, Daniel Bilc, S. D. Mahanti

Research output: Contribution to journalConference articlepeer-review

3 Scopus citations


To understand thermoelectric properties of multiplayer Bi 2Te3 /Sb2Te3 superlattices, especially their charge transport properties, electronic structure calculations were carried out using ab-initio gradient corrected density functional theory. The superlattice structures of (1,1) and (1,2) Bi2Te 3/Sb2Te3 multilayers were optimized and their band structures were compared with each other. Different lattice relaxation effects are observed for the two structures. The cross-plane and in-plane effective masses for both these systems are found to be comparable, consistent with experimental mobility measurements.

Original languageEnglish (US)
Pages (from-to)339-344
Number of pages6
JournalMaterials Research Society Symposium - Proceedings
StatePublished - 2003
Externally publishedYes
EventThermoelectric Materials 2003 - Research and Applications - Boston, MA., United States
Duration: Dec 1 2003Dec 3 2003

ASJC Scopus subject areas

  • General Materials Science
  • Condensed Matter Physics
  • Mechanics of Materials
  • Mechanical Engineering


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