一种在室温附近具有高热电性能的准一维块体材料  

A quasi-one-dimensional bulk thermoelectrics with high performance near room temperature

作　　者：董庆新 项俊森 王振 李云岫 卢瑞 张特 陈楠 黄奕飞 王义炎 朱文亮 李国栋 赵怀周 郑兴华 张帅 任治安 杨炯 陈根富 孙培杰 Qingxin Dong;Junsen Xiang;Zhen Wang;Yunxiu Li;Rui Lu;Te Zhang;Nan Chen;Yifei Huang;Yiyan Wang;Wenliang Zhu;Guodong Li;Huaizhou Zhao;Xinghua Zheng;Shuai hang;Zhian Ren;jiong Yang;Genfu Chen;Peijie Sun(Beijing National Laboratory for Condensed Matter Physics,Institute of Physics,Chinese Academy of Sciences,Beijing 100190,China;School of Physical Sciences,University of Chinese Academy of Sciences,Beijing 100049,China;Materials Genome Institute,Shanghai University,Shanghai 200444,China;Institute of Engineering Thermophysics,Chinese Academy of Sciences,Beijing 100190,China;School of Engineering Sciences,University of Chinese Academy of Sciences,Beijing 100049,China;Songshan Lake Materials Laboratory,Dongguan 523808,China;Zhejiang Laboratory,Hangzhou 311100,China)

机构地区：[1]Beijing National Laboratory for Condensed Matter Physics,Institute of Physics,Chinese Academy of Sciences,Beijing 100190,China [2]School of Physical Sciences,University of Chinese Academy of Sciences,Beijing 100049,China [3]Materials Genome Institute,Shanghai University,Shanghai 200444,China [4]Institute of Engineering Thermophysics,Chinese Academy of Sciences,Beijing 100190,China [5]School of Engineering Sciences,University of Chinese Academy of Sciences,Beijing 100049,China [6]Songshan Lake Materials Laboratory,Dongguan 523808,China [7]Zhejiang Laboratory,Hangzhou 311100,China

出　　处：《Science Bulletin》2023年第9期920-927,M0004,共9页科学通报（英文版）

基　　金：supported by the National Natural Science Foundation of China (12141002,52088101,11874417,11974389,and 52172216);the Ministry of Science and Technology of China (2021YFA0718702);the Chinese Academy of Sciences through the Strategic Priority Research Program;the Scientific Instrument Developing Program;the Project for Young Scientists in Basic Research (XDB33000000,YJKYYQ20200017,and YSBR-057);the Chinese Postdoctoral Science Foundation (E0BK181);the funding support of the National Key Research and Development Program of China (2018YFA0702100);the support from the Key Research Project of Zhejiang Laboratory (2021PE0AC02)。

摘　　要：在低维材料体系中探索高热电性能是热电材料研究领域的一个重要方向.实际上,近年来所发现的热电材料中的很大一部分,比如Bi_(2)Te_(3),SnSe,Mg_(3)Sb_(2)等,都具有准二维晶体结构.但是,到目前为止对准一维材料的热电研究还非常少见.本文报道了一种在室温附近具有高热电性能的准一维块体材料:TLCu_(3)Te_(2).在室温下,该材料沿单晶针状方向具有高达1.3的热电优值;在400 K时,其热电优值甚至可以达到1.5,一定程度超越了目前该温区的商用材料热电性能.通过详细的热电输运实验并结合第一性原理计算,作者发现TlCu_(3)Te_(2)的高热电优值主要起源于饼状费米口袋的高度各向异性准一维电子色散关系带来的大热电功率因子,以及准一维重元素复杂晶格导致的极低热导率.该研究表明准一维块体材料中的单轴性热电效应是一个值得深入探索的热电材料新领地.Pursuing efficient thermoelectricity from low-dimensional materials has been highly motivated since the seminal work of Hicks and Dresselhaus.In fact,many superior thermoelectric materials like Bi_(2)Te_(3),Mg_(3)Sb_(2)/Mg_(3)Bi_(2) and Sn Se are quasi-two-dimensional(q2D),though the advantages of twodimensionality appear to be diverse and sometimes controversial.Here,we report on a remarkably high thermoelectric performance in Tl Cu_(3)Te_(2),which is quasi-one-dimensional(q1D)with a further reduced dimension.The thermoelectric figure of merit z T along its q1D axis amounts to 1.3(1.5)at 300(400)K,rivaling the best ever reported at these temperatures.The high thermoelectric performances benefit from,on one hand,large power factors derived from a center-hollowed,pancake-like Fermi pocket with q1D dispersion at the edge of a narrow band gap,and on the other hand,small lattice thermal conductivities caused by the large and anharmonic q1D lattice consisting of heavy,lone-pair-electron bearing(Tl^(+))and weakly-bonded(Cu^(+))ions.This compound represents the first bulk material with quasiuniaxial thermoelectric transport of application level,offering a renewed opportunity to exploit reduced dimensionality for high-performance thermoelectricity.

关 键 词：热电性能 热电材料 热电优值 热电效应 准一维 第一性原理计算 一维材料 低维材料 

分 类 号：TB34[一般工业技术—材料科学与工程]