Solubility of Ti in thermoelectric PbTe compound

被引：62

作者：

Komisarchik, Genady ^{[1
]}

Gelbstein, Yaniv ^{[1
]}

Fuks, David ^{[1
]}

机构：

[1] Ben Gurion Univ Negev, Dept Mat Engn, IL-84105 Beer Sheva, Israel

来源：

INTERMETALLICS | 2017年 / 89卷

基金：

以色列科学基金会;

关键词：

A. Thermoelectric alloys; B. Density functional theory; C. Heat treatment; E. Ab initio calculations; F. Scanning electron microscope; F. X-ray diffraction; AB-INITIO; GROWTH MODE; ELECTRONIC-STRUCTURE; PHASE COMPETITION; TEMPERATURE; PERFORMANCE; STABILITY; DIAGRAMS; FILMS;

D O I：

10.1016/j.intermet.2017.05.016

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

For the first time, the temperature dependence of the solubility of Ti in PbTe is considered. The potential of Ti doping in PbTe was recently examined both theoretically and experimentally, in which a similar to 9% efficiency enhancement was observed compared to an undoped PbTe. We present an experimental study of the system for different Ti concentrations indicating the solubility limit of Ti in PbTe and the effect of temperature on the morphology of the alloy. Exceeding the solubility limit leads to phase separation accompanied by formation of the TiTe2 phase. At high temperatures, dissolution of the TiTe2 secondary phase occurs for low Ti concentration, and the system transfers to the single-phase disordered solid solution. On the contrary, for the same temperatures, in the case of higher Ti concentrations the two-phase state is preserved. Theoretical explanation of the observed results is given using ab inito calculations combined with the statistical thermodynamic approach. The quasi-binary PbTe-TiTe2 cross-section of the ternary Pb-Ti-Te phase diagram, indicating the Ti solubility in (Pb1-cTic)Te is presented.

引用

页码：16 / 21

页数：6

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