中文摘要：

GaSb是III-V族系列直接带隙半导体材料,其内部的缺陷性质对调控材料的热电性能具有重要作用。研究发现,在GaSb中掺杂Pb后材料内部产生了大量的反结构受主缺陷Pb-Sb及施主缺陷Pb＋Ga,但本征缺陷V3-Ga和Sb2＋Ga浓度减少。这些缺陷浓度的变化直接调控了材料的热电输运性能。例如,掺杂0.25%Pb后,室温载流子浓度由未掺杂时的~5.04×1023m-3突增到9.50×1025m-3;在867K时,电导率由0.56×104Ω-1·m-1增加到4.82×104Ω-1·m-1;晶格热导率由4.63W·K-1·m-1下降到3.41W·K-1·m-1。最大热电优值（ZT）为0.21,约是未掺杂GaSb最大ZT值的10倍。

英文摘要：

GaSb is one of the defect semiconductor among III-V series compounds with direct band gap,however,its inherent defects remains in debating. The thermoelectric（ TE） performance and defects in Pbfree and Pb-doped GaSb-based semiconductors were investigated,and found that the concentrations of newly created antisite defects such as Pb-Sband Pb＋Ga,which act as an acceptor and a donor respectively,increase significantly with Pb content increasing,while those of the inherent defects V3-Gaand Sb2 ＋Gareduce,which directly tailor the transport properties of GaSb-based semiconductors. For example,the carrier concentration（ n） at room temperature（ RT） enhances remarkably from 5.04 ×1023m- 3for Pb-free GaSb to 9. 59 × 1025m- 3for 0. 25% Pb-containing GaSb,and the electrical conductivity（ σ） at 867 K from 0. 56 × 104Ω- 1·m- 1to 4.82 × 104Ω- 1·m- 1,while the lattice thermal conductivity（ κL） reduces from 4.63 W·K- 1·m- 1to 3. 41 W·K- 1·m- 1at 867 K. As a consequence,the GaSb sample doped with 0. 25% Pb gives the maximum TE figure of merit（ ZT） of 0. 21 at 867 K,which is about 10 times that of Pb-free GaSb.