Phys. Rev. Lett. 99, 156403 (2007) [4 pages]

Atomic Ordering and Gap Formation in Ag-Sb-Based Ternary Chalcogenides

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Khang Hoang¹, S. D. Mahanti^1,*, James R. Salvador², and Mercouri G. Kanatzidis^2,†
¹Department of Physics and Astronomy, Michigan State University, East Lansing, Michigan 48824, USA
²Department of Chemistry, Michigan State University, East Lansing, Michigan 48824, USA

Received 16 October 2006; published 9 October 2007

Novel semiconductors with tailored properties can be designed theoretically based on our understanding of the interplay of atomic and electronic structures and the nature of the electronic states near the band-gap region. We discuss here the realization of this idea in Ag-Sb-based ternary chalcogenides, which are important optical phase change and thermoelectric materials. Based on our studies we propose new systems for high-performance thermoelectrics.

URL:

http://link.aps.org/doi/10.1103/PhysRevLett.99.156403

DOI:

10.1103/PhysRevLett.99.156403

PACS:

71.20.Nr, 71.15.Nc, 74.25.Fy

^*mahanti@pa.msu.edu

^†Present address: Department of Chemistry, Northwestern University, Evanston, IL 60208, USA

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Phys. Rev. Lett. 99, 156403 (2007) [4 pages]

Atomic Ordering and Gap Formation in Ag-Sb-Based Ternary Chalcogenides