Electronic and Thermoelectric Transport Properties of Topological Insulator LiAuS

被引：3

作者：

Nisha ^{[1
]}

Kaur, Kulwinder ^{[2
]}

Thakur, Jyoti ^{[3
]}

Kashyap, Manish K. ^{[4
]}

Saini, Hardev S. ^{[1
]}

机构：

[1] Guru Jambheshwar Univ Sci & Technol, Dept Phys, Hisar 125001, Haryana, India

[2] IIT Madras, Condensed Matter Theory & Computat Lab, Dept Phys, Chennai 600036, Tamil Nadu, India

[3] Univ Delhi, Dept Phys & Astrophys, Delhi 110007, India

[4] Kurukshetra Univ, Dept Phys, Kurukshetra 136119, Haryana, India

来源：

DAE SOLID STATE PHYSICS SYMPOSIUM 2018 | 2019年 / 2115卷

关键词：

PERFORMANCE;

D O I：

10.1063/1.5113265

中图分类号：

O59 [应用物理学];

学科分类号：

摘要：

The structural, electronic and thermoelectric transport properties of topological Insulator (TI) LiAuS compound have been studied using first-principle calculation. In this work, we have employed full potential linearized augmented plane wave (FPLAPW) method as implemented in WIEN2k code and semi classical Boltzmann transport equations with constant relaxation time approximation. Our calculated results revealed that LiAuS is elastically and thermodynamically stable and ductile material. The negative value of band inversion strength gives indication about topologically nontrivial feature. The calculated values of Seebeck coefficient and power factor are 163.67 mu V/K & 1.20x10(12)W/msK(2), respectively. The value of figure of merit (ZT) at 1000K is 1.1 which makes LiAuS a potential candidate for thermoelectric application at high temperature.

引用

页数：4

共 13 条

[1] Born M., 1954, DYNAMICAL THEORY CRY, P837
[2] Brennan K.F., 1999, PHYS SEMICONDUCTORS, P52
[3] INHOMOGENEOUS ELECTRON-GAS
RAJAGOPAL, AK
CALLAWAY, J
[J]. PHYSICAL REVIEW B, 1973, 7 (05) : 1912 - 1919
[4] TiPdSn: A half Heusler compound with high thermoelectric performance
Kaur, Kulwinder
[J]. EPL, 2017, 117 (04)
[5] Dense dislocation arrays embedded in grain boundaries for high-performance bulk thermoelectrics
Kim, Sang Il
Lee, Kyu Hyoung
Mun, Hyeon A.
Kim, Hyun Sik
Hwang, Sung Woo
Roh, Jong Wook
Yang, Dae Jin
Shin, Weon Ho
Li, Xiang Shu
Lee, Young Hee
Snyder, G. Jeffrey
Kim, Sung Wng
[J]. SCIENCE, 2015, 348 (6230) : 109 - 114
[6] Theoretical search for half-Heusler topological insulators
Lin, Shi-Yuan
Chen, Ming
Yang, Xiao-Bao
Zhao, Yu-Jun
Wu, Shu-Chun
Felser, Claudia
Yan, Binghai
[J]. PHYSICAL REVIEW B, 2015, 91 (09)
[7] BoltzTraP. A code for calculating band-structure dependent quantities
Madsen, Georg K. H.
Singh, David J.
[J]. COMPUTER PHYSICS COMMUNICATIONS, 2006, 175 (01) : 67 - 71
[8] Morelli DT, 2006, HIGH THERMAL CONDUCTIVITY MATERIALS, P37, DOI 10.1007/0-387-25100-6_2
[9] Electronic transport properties of electron- and hole-doped semiconducting C1b Heusler compounds: NiTi1-xMxSn (M=Sc, V)
Ouardi, Siham
Fecher, Gerhard H.
Balke, Benjamin
Kozina, Xenia
Stryganyuk, Gregory
Felser, Claudia
Lowitzer, Stephan
Koedderitzsch, Diemo
Ebert, Hubert
Ikenaga, Eiji
[J]. PHYSICAL REVIEW B, 2010, 82 (08):
[10] RELATIONS BETWEEN THE ELASTIC MODULI AND THE PLASTIC PROPERTIES OF POLYCRYSTALLINE PURE METALS
PUGH, SF
[J]. PHILOSOPHICAL MAGAZINE, 1954, 45 (367): : 823 - 843

← 1 2 →