Materials Gateway
Resource Center
Login button
 Open/CloseSend Us Your Feedback

Electronic Structure of AgPbmSbTem+2 Compounds - Implications on Thermoelectric Properties

Author(s):
Khang Hoang, S. D. Mahanti, J. Androulakis, M. G. Kanatzidis

Novel quaternary compounds AgPb|*bsub*|m|*esub*|SbTe|*bsub*|m+2|*esub*| (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|*bsub*|2|*esub*| (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 and AgSbTe|*bsub*|2|*esub*|.

Member Price: $0; Non-Member Price: $25.00
Track ID:
Paper #: 0886-F05-06
DOI:

Elsevier/Materials Today