Electronic structure of AgPb mSbTe m+2 compounds - Implications on thermoelectric properties

Khang Hoang, S. D. Mahanti, J. Androulakis, M. G. Kanatzidis

Research output: Chapter in Book/Report/Conference proceedingConference contribution

16 Citations (Scopus)

Abstract

Novel quaternary compounds AgPb mSbTe m+2 (LAST-m) with different m values have been synthesized recently and some of these compounds show promising thermoelectric properties at high temperatures. The two end members of the series, PbTe (m=∞) and AgSbTe 2 (m=0), are also known to be good thermoelectrics. In this paper, we discuss the results of ab initio electronic structure calculations for these two end members and for LAST-2 and LAST-14 to see how the electronic structure near the chemical potential μ, evolves with m. Whereas PbTe and LAST-14 are narrow band gap semiconductors, the other two compounds show pseudo-gap structure. Even in the absence of a true gap, the rapidly varying density of states (DOS) near μ may be conducive to large Seebeck coefficient in LAST-2, LAST-14, and AgSbTe 2.

Original languageEnglish
Title of host publicationMaterials Research Society Symposium Proceedings
Pages181-185
Number of pages5
Publication statusPublished - May 8 2006
Event2005 Materials Research Society Fall Meeting - Boston, MA, United States
Duration: Nov 28 2005Dec 1 2005

Publication series

NameMaterials Research Society Symposium Proceedings
Volume886
ISSN (Print)0272-9172

Other

Other2005 Materials Research Society Fall Meeting
CountryUnited States
CityBoston, MA
Period11/28/0512/1/05

ASJC Scopus subject areas

  • Materials Science(all)
  • Condensed Matter Physics
  • Mechanics of Materials
  • Mechanical Engineering

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    Hoang, K., Mahanti, S. D., Androulakis, J., & Kanatzidis, M. G. (2006). Electronic structure of AgPb mSbTe m+2 compounds - Implications on thermoelectric properties. In Materials Research Society Symposium Proceedings (pp. 181-185). (Materials Research Society Symposium Proceedings; Vol. 886).