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 language | English |
|---|---|
| Title of host publication | Materials Research Society Symposium Proceedings |
| Pages | 181-185 |
| Number of pages | 5 |
| Volume | 886 |
| Publication status | Published - 2006 |
| Event | 2005 Materials Research Society Fall Meeting - Boston, MA, United States Duration: Nov 28 2005 → Dec 1 2005 |
Other
| Other | 2005 Materials Research Society Fall Meeting |
|---|---|
| Country | United States |
| City | Boston, MA |
| Period | 11/28/05 → 12/1/05 |
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ASJC Scopus subject areas
- Electronic, Optical and Magnetic Materials
Cite this
Electronic structure of AgPb mSbTe m+2 compounds - Implications on thermoelectric properties. / Hoang, Khang; Mahanti, S. D.; Androulakis, J.; Kanatzidis, Mercouri G.
Materials Research Society Symposium Proceedings. Vol. 886 2006. p. 181-185.Research output: Chapter in Book/Report/Conference proceeding › Conference contribution
}
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, Mercouri 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.
UR - http://www.scopus.com/inward/record.url?scp=33646192263&partnerID=8YFLogxK
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M3 - Conference contribution
SN - 1558998403
SN - 9781558998407
VL - 886
SP - 181
EP - 185
BT - Materials Research Society Symposium Proceedings
ER -