首页|Engineering Thermoelectric Performance of α-GeTe by Ferroelectric Distortion
Engineering Thermoelectric Performance of α-GeTe by Ferroelectric Distortion
扫码查看
点击上方二维码区域，可以放大扫码查看
原文链接
NETL
NSTL
万方数据
The rhombohedral α-GeTe can be approximated as a slightly distorted rock-salt structure along its[1 1 1]direction and possesses superb thermoelectric performance.However,the role of such a ferroelectric-like structural distortion on its transport properties remains unclear.Herein,we performed a systematic study on the crystal structure and electronic band structure evolutions of Ge1-xSnxTe alloys where the degree of ferroelectric distortion is continuously tuned.It is revealed that the band gap is maximized while multiple valence bands are converged at x=0.6,where the ferroelectric distortion is the least but still works.Once undistorted,the band gap is considerably reduced,and the valence bands are largely separated again.Moreover,near the ferro-to-paraelectric phase transition Curie temperature,the lattice thermal conductivity reaches its minima because of significant lattice softening enabled by ferroelectric instability.We predict a peak ZT value of 2.6 at 673 K in α-GeTe by use of proper dopants which are powerful in suppressing the excess hole concentrations but meanwhile exert little influence on the ferroelectric distortion.
electronic band structuresferroelectric distortionlattice softeningthermoelectricα-GeTe
Yuting Fan、Chenghao Xie、Jun Li、Xiangyu Meng、Jinchang Sun、Jinsong Wu、Xinfeng Tang、Gangjian Tan
展开 >
State Key Laboratory of Advanced Technology for Materials Synthesis and Processing,Wuhan University of Technology,Wuhan 430070,China
International School of Materials Science and Engineering,Wuhan University of Technology,Wuhan 430070,China
National Natural Science Foundation of ChinaNational Key Research and Development Program of China
NETL
NSTL
万方数据
