First-Principles Theory of Competing Order Types, Phase Separation, and Phonon Spectra in Thermoelectric AgPbmSbTem+2 Alloys

被引：87

作者：

Barabash, S. V. ^{[1
]}

Ozolins, V. ^{[1
]}

Wolverton, C. ^{[2
]}

机构：

[1] Univ Calif Los Angeles, Dept Mat Sci & Engn, Los Angeles, CA 90095 USA

[2] Northwestern Univ, Dept Mat Sci & Engn, Evanston, IL 60208 USA

来源：

PHYSICAL REVIEW LETTERS | 2008年 / 101卷 / 15期

关键词：

D O I：

10.1103/PhysRevLett.101.155704

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

Using a first-principles cluster expansion, we shed light on the solid-state phase diagram and structure of the recently discovered high-performance Pb-Ag-Sb-Te thermoelectrics. The calculated bulk thermodynamics favors the formation of coherent precipitates of ordered Ag(m)Sb(n)Te(m+n) phases immiscible with rocksalt PbTe, such as AgSbTe(2). The solubility is high for Pb in AgSbTe(2) and low for (Ag,Sb) in PbTe (8% vs 0.6% at 850 K). The differences in the phonon spectra of PbTe and AgSbTe(2) suggest that these precipitates enhance the thermoelectric performance by lowering thermal conductivity.

引用

页数：4

共 34 条

[1]

BARABASH SV, IN PRESS, P30405

[2]

BILE D, 2004, PHYS REV LETT, V93, P6403

[3] DENSITY-OF-STATES EFFECTIVE MASS IN SOLID-SOLUTIONS OF THE (AGX/2PB1-XSBX/2)TE TYPE [J].

BORISOVA, L .

PHYSICA STATUS SOLIDI B-BASIC RESEARCH, 1984, 126 (02) :K155-K158

[4] KINETIC COEFFICIENTS IN SOLID-SOLUTIONS OF THE (AGX/2PB1-XSBX/2)TE TYPE [J].

BORISOVA, L ;

DIMITROVA, S .

PHYSICA STATUS SOLIDI A-APPLIED RESEARCH, 1979, 53 (01) :403-407

[5] Macroscopic thermoelectric inhomogeneities in (AgSbTe2)x(PbTe)1-x -: art. no. 171903 [J].

Chen, N ;

Gascoin, F ;

Snyder, GJ ;

Müller, E ;

Karpinski, G ;

Stiewe, C .

APPLIED PHYSICS LETTERS, 2005, 87 (17) :1-3

[6] Lead telluride as a thermoelectric material for thermoelectric power generation [J].

Dughaish, ZH .

PHYSICA B-CONDENSED MATTER, 2002, 322 (1-2) :205-223

[7]

ELEMBE MM, 1967, P R SOC A, V300, P210

[8]

*EPAPS, EPRLTAO101007839 EPA, P30405

[9]

FINEL A, 1987, THESIS U PARIS PARIS, P30405

[10]

FLEISCHMANN H, 1961, Z NATURFORSCH PT A, V16, P765

← 1 2 3 4 →