Hostname: page-component-848d4c4894-wzw2p Total loading time: 0 Render date: 2024-05-06T11:50:12.014Z Has data issue: false hasContentIssue false
  • English
  • Français

Theoretical Study of Electronic Structures of Bi2Te3/Sb2Te3 Superlattices

Published online by Cambridge University Press:  01 February 2011

Hong Li ,
Daniel Bilc  and
S. D. Mahanti
Hong Li
Affiliation:
Department of Physics and Astronomy, Michigan State University, East Lansing, MI 48823
Daniel Bilc
Affiliation:
Department of Physics and Astronomy, Michigan State University, East Lansing, MI 48823
S. D. Mahanti
Affiliation:
Department of Physics and Astronomy, Michigan State University, East Lansing, MI 48823
Get access

Abstract

To understand thermoelectric properties of multiplayer Bi2Te3/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) Bi2Te3/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 inplane effective masses for both these systems are found to be comparable, consistent with experimental mobility measurements.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 793: Symposium S – Thermoelectric Materials 2003 - Research and Applications , 2003 , S8.37
Copyright
Copyright © Materials Research Society 2004

Access options

Get access to the full version of this content by using one of the access options below. (Log in options will check for institutional or personal access. Content may require purchase if you do not have access.)

References

REFERENCES

1. Venkatasubramanian, R., Siivola, E., Colpitts, T., and O'Quinn, B., Nature, 413, 597 (2001).Google Scholar
2. Mahanti, S. D., et al., “Chemistry, Physics and Materials Science of Thermoelectric Materials”, ed. Kanatzidis, M. G., Mahanti, S. D. and Hogan, T. P., (Kluwer Academic/Plenum Publishers, 2003) pp. 227–247.Google Scholar
3. Hohenberg, P. and Kohn, W., Phys. Rev. 136, B864 (1964);Google Scholar
Kohn, W. and Sham, L., Phys. Rev. 140, A1133 (1965).Google Scholar
4. Perdew, J. P., Burke, K., and Ernzerhof, M., Phys. Rev. Lett. 77, 3865(1996).Google Scholar
5. Singh, D., Planewaves, Pseudopotentials, and the LAPW Method, (Kluwer Academic, Boston, 1994)Google Scholar
6. Blaha, P., Schwarz, K., Madsen, G., Kvasnicka, D., and Luitz, J., WIEN2K (Vienna University of Technology, Vienna, 2001)Google Scholar
7. Unpublished resultsGoogle Scholar