Computational modelling of the thermoelectric properties of p-type Zintl compound CaMg2Bi2

被引：39
|
作者：
Sun, Jifeng [1 ]
Shuai, Jing [2 ,3 ]
Ren, Zhifeng [2 ,3 ]
Singh, David J. [1 ]
机构：
[1] Univ Missouri, Dept Phys & Astron, Columbia, MO 65211 USA
[2] Univ Houston, Dept Phys, Houston, TX 77204 USA
[3] Univ Houston, TcSUH, Houston, TX 77204 USA
来源：
MATERIALS TODAY PHYSICS | 2017年 / 2卷
关键词：
POWER; PERFORMANCE; YB14MNSB11; TRANSPORT; PHASES; FIGURE; MERIT; SR; BA; BI;
D O I：
10.1016/j.mtphys.2017.07.002
中图分类号：
T [工业技术];
学科分类号：
08 ;
摘要：
We develop a model based on first principles calculations and experimental data for the thermoelectric properties of p-type CaMg2Bi2. The thermoelectric performance was assessed and optimized based on the model. The model predicts bipolar reduction of ZT at high temperatures (e.g. > 800 K). This indicates the thermoelectric performance of the material can be further optimized by tuning the carrier concentration beyond the bipolar regime. (c) 2017 Elsevier Ltd. All rights reserved.
引用
收藏
页码：40 / 45
页数：6
相关论文
共 50 条
  • [1] Transport properties of p-type CaMg2Bi2 thermoelectrics
    Sun, Cheng
    Shi, Xuemin
    Zheng, Liangtao
    Chen, Bo
    Li, Wen
    JOURNAL OF MATERIOMICS, 2019, 5 (04) : 567 - 573
  • [2] Enhanced Thermoelectric Properties of p-Type CaMg2Bi2 via a Synergistic Effect Originated from Zn and Alkali-Metal Co-doping
    Guo, Muchun
    Guo, Fengkai
    Zhu, Jianbo
    Yin, Li
    Qin, Haixu
    Zhang, Qian
    Cai, Wei
    Sui, Jiehe
    ACS APPLIED MATERIALS & INTERFACES, 2020, 12 (05) : 6015 - 6021
  • [3] Thermoelectric transport properties of CaMg2Bi2, EuMg2Bi2, and YbMg2Bi2
    May, Andrew F.
    McGuire, Michael A.
    Singh, David J.
    Ma, Jie
    Delaire, Olivier
    Huq, Ashfia
    Cai, Wei
    Wang, Hsin
    PHYSICAL REVIEW B, 2012, 85 (03)
  • [4] High Thermoelectric Performance of CaMg2Bi2 Enabled by Dynamic Doping and Orbital Alignment
    Guo, Muchun
    Zhai, Wenya
    Li, Jingyu
    Zhu, Jianbo
    Guo, Fengkai
    Liu, Zihang
    Liu, Ming
    Zhu, Yuke
    Dong, Xingyan
    Zhang, Yongsheng
    Zhang, Qian
    Cai, Wei
    Sui, Jiehe
    ADVANCED FUNCTIONAL MATERIALS, 2022, 32 (23)
  • [5] Enhanced thermoelectric performance of P-type CaMg2Bi1.98 and optimized CaAl2Si2-type Zintl phase module with equal cross-section area
    Guo, Muchun
    Zhu, Jianbo
    Guo, Fengkai
    Zhang, Qian
    Cai, Wei
    Sui, Jiehe
    MATERIALS TODAY PHYSICS, 2020, 15
  • [6] Topological electronic structure of YbMg2Bi2 and CaMg2Bi2
    Kundu, Asish K.
    Roy, Tufan
    Pakhira, Santanu
    Wu, Ze-Bin
    Tsujikawa, Masahito
    Shirai, Masafumi
    Johnston, D. C.
    Pasupathy, Abhay N.
    Valla, Tonica
    NPJ QUANTUM MATERIALS, 2022, 7 (01)
  • [7] Investigation of the bipolar effect in the thermoelectric material CaMg2Bi2 using a first-principles study
    Gong, J. J.
    Hong, A. J.
    Shuai, J.
    Li, L.
    Yan, Z. B.
    Ren, Z. F.
    Liu, J. -M.
    PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2016, 18 (24) : 16566 - 16574
  • [8] Topological electronic structure of YbMg2Bi2 and CaMg2Bi2
    Asish K. Kundu
    Tufan Roy
    Santanu Pakhira
    Ze-Bin Wu
    Masahito Tsujikawa
    Masafumi Shirai
    D. C. Johnston
    Abhay N. Pasupathy
    Tonica Valla
    npj Quantum Materials, 7
  • [9] Structure and Properties of Single Crystalline CaMg2Bi2, EuMg2Bi2, and YbMg2Bi2
    May, Andrew F.
    McGuire, Michael A.
    Singh, David J.
    Custelcean, Radu
    Jellison, Gerald E., Jr.
    INORGANIC CHEMISTRY, 2011, 50 (21) : 11127 - 11133
  • [10] Thermoelectric properties of Zintl compound Ca1-xNaxMg2Bi1.98
    Shuai, Jing
    Kim, Hee Seok
    Liu, Zihang
    He, Ran
    Sui, Jiehe
    Ren, Zhifeng
    APPLIED PHYSICS LETTERS, 2016, 108 (18)
12345