TY - GEN
T1 - Electronic structure of AgPb mSbTe m+2 compounds - Implications on thermoelectric properties
AU - Hoang, Khang
AU - Mahanti, S. D.
AU - Androulakis, J.
AU - Kanatzidis, M. G.
PY - 2006
Y1 - 2006
N2 - 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.
AB - 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.
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M3 - Conference contribution
AN - SCOPUS:33646192263
SN - 1558998403
SN - 9781558998407
T3 - Materials Research Society Symposium Proceedings
SP - 181
EP - 185
BT - Materials Research Society Symposium Proceedings
T2 - 2005 Materials Research Society Fall Meeting
Y2 - 28 November 2005 through 1 December 2005
ER -