Mg/Ca doping ameliorates the thermoelectric properties of GeTe: Influence of electronic structure engineering

被引:49
作者
Bhat, D. Krishna [1 ]
Shenoy, U. Sandhya [2 ]
机构
[1] Natl Inst Technol Karnataka, Dept Chem, Mangalore 575025, India
[2] Srinivas Univ, Coll Engn & Technol, Dept Chem, Mangalore 574146, India
关键词
Thermoelectrics; Doping; Germanium telluride; Magnesium; Calcium; THERMAL-CONDUCTIVITY; BAND CONVERGENCE; TIN TELLURIDE; PERFORMANCE; BI; MAGNESIUM; FIGURE; MERIT; SB;
D O I
10.1016/j.jallcom.2020.155989
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
GeTe, though originally believed to be a poor thermoelectric material due to its inherent Ge vacancies has recently attracted the attention of the scientific community due to its tunable electronic structure. Herein, we study the electronic structure modifications of GeTe by means of doping it with Mg and Ca. Both Mg and Ca increases the band gap of GeTe and brings about valence band convergence decreasing the energy offset. The enhanced Seebeck co-efficient due to tuning of the electronic structure results in improved thermoelectric properties as predicted by the Boltzmann transport calculations. This strategy of doping could be very well extended to other dopants for improving the thermoelectric properties of GeTe. (C) 2020 Elsevier B.V. All rights reserved.
引用
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页数:6
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共 36 条
[1]   Band Degeneracy, Low Thermal Conductivity, and High Thermoelectric Figure of Merit in SnTe-CaTe Alloys [J].
Al Orabi, Rabih Al Rahal ;
Mechosky, Nicolas A. ;
Hwang, Junphil ;
Kim, Woochul ;
Rhyee, Jong-Soo ;
Wee, Daehyun ;
Fornari, Marco .
CHEMISTRY OF MATERIALS, 2016, 28 (01) :376-384
[2]   A Comparison Between the Effects of Sb and Bi Doping on the Thermoelectric Properties of the Ti0.3Zr0.35Hf0.35NiSn Half-Heusler Alloy [J].
Appel, O. ;
Gelbstein, Y. .
JOURNAL OF ELECTRONIC MATERIALS, 2014, 43 (06) :1976-1982
[3]   Mg Alloying in SnTe Facilitates Valence Band Convergence and Optimizes Thermoelectric Properties [J].
Banik, Ananya ;
Shenoy, U. Sandhya ;
Anand, Shashwat ;
Waghmare, Umesh V. ;
Biswas, Kanishka .
CHEMISTRY OF MATERIALS, 2015, 27 (02) :581-587
[4]   Synergistic optimization of thermoelectric performance of Sb doped GeTe with a strained domain and domain boundaries [J].
Bayikadi, Khasim Saheb ;
Wu, Chien Ting ;
Chen, Li-Chyong ;
Chen, Kuei-Hsien ;
Chou, Fang-Cheng ;
Sankar, Raman .
JOURNAL OF MATERIALS CHEMISTRY A, 2020, 8 (10) :5332-5341
[5]   Zn: a versatile resonant dopant for SnTe thermoelectrics [J].
Bhat, D. K. ;
Shenoy, U. S. .
MATERIALS TODAY PHYSICS, 2019, 11
[6]   SnTe thermoelectrics: Dual step approach for enhanced performance [J].
Bhat, D. Krishna ;
Shenoy, U. Sandhya .
JOURNAL OF ALLOYS AND COMPOUNDS, 2020, 834
[7]   Enhanced thermoelectric performance of bulk tin telluride: Synergistic effect of calcium and indium co-doping [J].
Bhat, D. Krishna ;
Shenoy, U. Sandhya .
MATERIALS TODAY PHYSICS, 2018, 4 :12-18
[8]   High Thermoelectric Performance of Co-Doped Tin Telluride Due to Synergistic Effect of Magnesium and Indium [J].
Bhat, D. Krishna ;
Shenoy, Sandhya U. .
JOURNAL OF PHYSICAL CHEMISTRY C, 2017, 121 (13) :7123-7130
[9]   Medium-temperature thermoelectric GeTe: vacancy suppression and band structure engineering leading to high performance [J].
Dong, Jinfeng ;
Sun, Fu-Hua ;
Tang, Huaichao ;
Pei, Jun ;
Zhuang, Hua-Lu ;
Hu, Hai-Hua ;
Zhang, Bo-Ping ;
Pan, Yu ;
Li, Jing-Feng .
ENERGY & ENVIRONMENTAL SCIENCE, 2019, 12 (04) :1396-1403
[10]   Significant lattice thermal conductivity reduction following phase separation of the highly efficient GexPb1-xTe thermoelectric alloys [J].
Gelbstein, Yaniv ;
Davidow, Joseph ;
Leshem, Ehud ;
Pinshow, Oren ;
Moisa, Strul .
PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS, 2014, 251 (07) :1431-1437