Dramatically improving thermoelectric performance of topological half-Heusler compound LuPtSb via hydrostatic pressure

被引:40
作者
Huang, Shan [1 ,2 ,3 ]
Liu, Xiaowei [3 ]
Zheng, Wenwen [4 ]
Guo, Jingjing [5 ]
Xiong, Rui [1 ,2 ]
Wang, Ziyu [3 ]
Shi, Jing [1 ,2 ]
机构
[1] Wuhan Univ, Minist Educ, Key Lab Artificial Micro & Nanostruct, Wuhan 430072, Hubei, Peoples R China
[2] Wuhan Univ, Sch Phys & Technol, Wuhan 430072, Hubei, Peoples R China
[3] Wuhan Univ, Inst Technol Sci, Wuhan 430072, Hubei, Peoples R China
[4] Wuhan Inst Technol, Sch Sci, Wuhan 430205, Hubei, Peoples R China
[5] Henan Normal Univ, Sch Phys & Mat Sci, Xinxiang 453007, Peoples R China
基金
中国国家自然科学基金;
关键词
INSULATORS; STATE;
D O I
10.1039/c8ta07350c
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
Recent research studies show that many materials with topological properties exhibit novel thermoelectric performance, such as BiSe, Bi2Te3 and Bi2Se3. Meanwhile, the topologically non-trivial states are also discovered in some half-Heusler materials. By investigating the typical topological half-Heusler compound LuPtSb within the frameworks of both density functional theory and Boltzmann transport theory, we discovered that the figure of merit (ZT) dramatically increases from 0.3 to 1.5 at 900 K via hydrostatic pressure. There seems to be a strong relationship between the topological state and thermoelectrics, and our work provides some new and unique insights to understand the relationship.
引用
收藏
页码:20069 / 20075
页数:7
相关论文
共 46 条
[1]   Topological electronic structure in half-Heusler topological insulators [J].
Al-Sawai, W. ;
Lin, Hsin ;
Markiewicz, R. S. ;
Wray, L. A. ;
Xia, Y. ;
Xu, S. -Y. ;
Hasan, M. Z. ;
Bansil, A. .
PHYSICAL REVIEW B, 2010, 82 (12)
[2]   DEFORMATION POTENTIALS AND MOBILITIES IN NON-POLAR CRYSTALS [J].
BARDEEN, J ;
SHOCKLEY, W .
PHYSICAL REVIEW, 1950, 80 (01) :72-80
[3]   Effect of boundary scattering on the thermal conductivity of TiNiSn-based half-Heusler alloys [J].
Bhattacharya, S. ;
Skove, M. J. ;
Russell, M. ;
Tritt, T. M. ;
Xia, Y. ;
Ponnambalam, V. ;
Poon, S. J. ;
Thadhani, N. .
PHYSICAL REVIEW B, 2008, 77 (18)
[4]   Finding Unprecedentedly Low-Thermal-Conductivity Half-Heusler Semiconductors via High-Throughput Materials Modeling [J].
Carrete, Jesus ;
Li, Wu ;
Mingo, Natalio ;
Wang, Shidong ;
Curtarolo, Stefano .
PHYSICAL REVIEW X, 2014, 4 (01)
[5]   GROUND-STATE OF THE ELECTRON-GAS BY A STOCHASTIC METHOD [J].
CEPERLEY, DM ;
ALDER, BJ .
PHYSICAL REVIEW LETTERS, 1980, 45 (07) :566-569
[6]  
Chadov S, 2010, NAT MATER, V9, P541, DOI [10.1038/nmat2770, 10.1038/NMAT2770]
[7]   Uncovering high thermoelectric figure of merit in (Hf,Zr)NiSn half-Heusler alloys [J].
Chen, L. ;
Gao, S. ;
Zeng, X. ;
Dehkordi, A. Mehdizadeh ;
Tritt, T. M. ;
Poon, S. J. .
APPLIED PHYSICS LETTERS, 2015, 107 (04)
[8]   Recent progress of half-Heusler for moderate temperature thermoelectric applications [J].
Chen, Shuo ;
Ren, Zhifeng .
MATERIALS TODAY, 2013, 16 (10) :387-395
[9]   Understanding the electronic and phonon transport properties of a thermoelectric material BiCuSeO: a first-principles study [J].
Fan, D. D. ;
Liu, H. J. ;
Cheng, L. ;
Zhang, J. ;
Jiang, P. H. ;
Wei, J. ;
Liang, J. H. ;
Shi, J. .
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2017, 19 (20) :12913-12920
[10]   Half-Heusler topological insulators: A first-principles study with the Tran-Blaha modified Becke-Johnson density functional [J].
Feng, Wanxiang ;
Xiao, Di ;
Zhang, Ying ;
Yao, Yugui .
PHYSICAL REVIEW B, 2010, 82 (23)