Microstructure and a nucleation mechanism for nanoprecipitates in PbTe-AgSbTe2

Xuezhi Ke; Changfeng Chen; Jihui Yang; Lijun Wu; Juan Zhou; Qiang Li; Yimei Zhu; P. R.C. Kent

doi:10.1103/PhysRevLett.103.145502

Microstructure and a nucleation mechanism for nanoprecipitates in PbTe-AgSbTe2

Xuezhi Ke, Changfeng Chen, Jihui Yang, Lijun Wu, Juan Zhou, Qiang Li, Yimei Zhu, P. R.C. Kent

Computational Chemistry and Nanomaterial

Research output: Contribution to journal › Article › peer-review

59 Scopus citations

Abstract

Many recent advances in thermoelectric (TE) materials are attributed to their nanoscale constituents. Determination of the nanocomposite structures has represented a major experimental and computational challenge and eluded previous attempts. Here we present the first atomically resolved structures of high performance TE material PbTe-AgSbTe2 by transmission electron microscopy imaging and density functional theory calculations. The results establish an accurate structural characterization for PbTe-AgSbTe2 and identify the interplay of electric dipolar interactions and strain fields as the driving mechanism for nanoprecipitate nucleation and aggregation.

Original language	English
Article number	145502
Journal	Physical Review Letters
Volume	103
Issue number	14
DOIs	https://doi.org/10.1103/PhysRevLett.103.145502
State	Published - Oct 2 2009

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abstract = "Many recent advances in thermoelectric (TE) materials are attributed to their nanoscale constituents. Determination of the nanocomposite structures has represented a major experimental and computational challenge and eluded previous attempts. Here we present the first atomically resolved structures of high performance TE material PbTe-AgSbTe2 by transmission electron microscopy imaging and density functional theory calculations. The results establish an accurate structural characterization for PbTe-AgSbTe2 and identify the interplay of electric dipolar interactions and strain fields as the driving mechanism for nanoprecipitate nucleation and aggregation.",

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AU - Ke, Xuezhi

AU - Chen, Changfeng

AU - Yang, Jihui

AU - Wu, Lijun

AU - Zhou, Juan

AU - Li, Qiang

AU - Zhu, Yimei

AU - Kent, P. R.C.

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AB - Many recent advances in thermoelectric (TE) materials are attributed to their nanoscale constituents. Determination of the nanocomposite structures has represented a major experimental and computational challenge and eluded previous attempts. Here we present the first atomically resolved structures of high performance TE material PbTe-AgSbTe2 by transmission electron microscopy imaging and density functional theory calculations. The results establish an accurate structural characterization for PbTe-AgSbTe2 and identify the interplay of electric dipolar interactions and strain fields as the driving mechanism for nanoprecipitate nucleation and aggregation.

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Microstructure and a nucleation mechanism for nanoprecipitates in PbTe-AgSbTe2

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