Computational Investigation of the Electronic and Thermoelectric Properties of Strained Bulk Mg2Si

被引：8
|
作者：
Balout, Hilal [1 ,2 ]
Boulet, Pascal [1 ,2 ]
Record, Marie-Christine [2 ,3 ]
机构：
[1] Aix Marseille Univ, MADIREL, F-13397 Marseille, France
[2] CNRS, F-13397 Marseille, France
[3] Aix Marseille Univ, IM2NP, F-13397 Marseille, France
来源：
JOURNAL OF ELECTRONIC MATERIALS | 2014年 / 43卷 / 10期
关键词：
Thermoelectricity; silicide compounds; strain; density-functional theory; Boltzmann transport theory; ELASTIC PROPERTIES; BAND-STRUCTURE; GE;
D O I：
10.1007/s11664-014-3166-6
中图分类号：
TM [电工技术]; TN [电子技术、通信技术];
学科分类号：
0808 ; 0809 ;
摘要：
The purpose of this work was to investigate, by numerical simulation, the effect of isotropic and anisotropic strain on the transport properties of Mg2Si. Analysis of the effects of temperature and charge-carrier concentration on evolution of the energy gap and on the thermoelectric properties of strained Mg2Si is also reported in this paper. Gap evolution is highly dependent on the type of strain applied to the structure. The Seebeck coefficient (S) and power factor (PF) are strongly modified; a gain of up to 40% can be obtained for S and up to 100% for PF under specific conditions of strain. In most cases the temperature corresponding to the maximum value of PF was found to shift downward under the effect of strain.
引用
收藏
页码：3801 / 3807
页数：7
相关论文
共 50 条
  • [31] Theoretical study on thermoelectric properties of Mg2Si and comparison to experiments
    Wang, Hanfu
    Chu, Weiguo
    Jin, Hao
    COMPUTATIONAL MATERIALS SCIENCE, 2012, 60 : 224 - 230
  • [32] Thermoelectric properties of the Bi-doped Mg2Si system
    Choi, Soon-Mok
    Kim, Kyung-Ho
    Kim, Il-Ho
    Kim, Sun-Uk
    Seo, Won-Seon
    CURRENT APPLIED PHYSICS, 2011, 11 (03) : S388 - S391
  • [33] Fabrication and Thermoelectric Properties of Al/Mg2Si Composite Materials
    Hayashibara, Yuta
    Hayashi, Kei
    Ando, Ikumi
    Kubouchi, Masataka
    Ogawa, Yohei
    Saito, Wataru
    Miyazaki, Yuzuru
    MATERIALS TRANSACTIONS, 2018, 59 (07) : 1041 - 1045
  • [34] Synthesis and Thermoelectric Properties of n-Type Mg2Si
    Jung, Jae-Yong
    Kim, Il-Ho
    ELECTRONIC MATERIALS LETTERS, 2010, 6 (04) : 187 - 191
  • [35] Thermoelectric Properties of Sn-Containing Mg2Si Nanostructures
    Balout, Hilal
    Boulet, Pascal
    Record, Marie-Christine
    JOURNAL OF PHYSICAL CHEMISTRY C, 2015, 119 (31): : 17515 - 17521
  • [36] Thermoelectric properties of bi-doped Mg2Si semiconductors
    Tani, J
    Kido, H
    PHYSICA B-CONDENSED MATTER, 2005, 364 (1-4) : 218 - 224
  • [37] Thermoelectric properties of Sb-doped Mg2Si semiconductors
    Tani, Jun-Ichi
    Kido, Hiroyasu
    INTERMETALLICS, 2007, 15 (09) : 1202 - 1207
  • [38] Synthesis and thermoelectric properties of n-Type Mg2Si
    Jae-Yong Jung
    Il-Ho Kim
    Electronic Materials Letters, 2010, 6 : 187 - 191
  • [39] Thermoelectric properties of P-doped Mg2Si semiconductors
    Tani, Jun-ichi
    Kido, Hiroyasu
    JAPANESE JOURNAL OF APPLIED PHYSICS PART 1-REGULAR PAPERS BRIEF COMMUNICATIONS & REVIEW PAPERS, 2007, 46 (6A): : 3309 - 3314
  • [40] Structural, electronic, elastic and thermal properties of Mg2Si
    Yu, Benhai
    Chen, Dong
    Tang, Qingbin
    Wang, Chunlei
    Shi, Deheng
    JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS, 2010, 71 (05) : 758 - 763
12345