Physical Review B, volume 97, issue 12, publication number 121104
Perovskite ThTaN 3
Publication type: Journal Article
Publication date: 2018-03-08
Journal:
Physical Review B
Quartile SCImago
Q1
Quartile WOS
Q2
Impact factor: 3.7
ISSN: 24699950, 24699969, 10980121, 1550235X
Abstract
ThTaN$_3$, a rare cubic perovskite nitride semiconductor, has been studied using {\it ab initio} methods. Spin-orbit coupling (SOC) results in band inversion and a band gap of 150 meV at the zone center. In spite of the trivial $Z_2$ indices, two pairs of spin-polarized surface bands cross the gap near the zone center, indicating that this system is a topological crystalline insulator with the mirror Chern number of $|{\cal C}_m|=2$ protected by the mirror and $C_4$ rotational symmetries. Additionally, SOC doubles the Seebeck coefficient, leading to a maximum of $\sim$400 $\mu$V/K at 150 K for carrier-doping levels of several $10^{17}$/cm$^3$. ThTaN$_3$ combines excellent bulk thermopower with parallel conduction through topological surface states that provide a platform for large engineering devices with ever larger figures of merit.
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Citations by publishers
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3 publications, 15.79%
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- We do not take into account publications without a DOI.
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Jung M. C. et al. Perovskite ThTaN3 : A large-thermopower topological crystalline insulator // Physical Review B. 2018. Vol. 97. No. 12. 121104
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Jung M. C., Jung M., Lee K., Lee K. W., Pickett W. E. Perovskite ThTaN3 : A large-thermopower topological crystalline insulator // Physical Review B. 2018. Vol. 97. No. 12. 121104
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TY - JOUR
DO - 10.1103/physrevb.97.121104
UR - https://doi.org/10.1103/physrevb.97.121104
TI - Perovskite ThTaN3 : A large-thermopower topological crystalline insulator
T2 - Physical Review B
AU - Jung, Myung Chul
AU - Lee, Kwan-Woo
AU - Pickett, Warren E.
AU - Jung, Myung-Chul
AU - Lee, Kwan Woo
PY - 2018
DA - 2018/03/08 00:00:00
PB - American Physical Society (APS)
IS - 12
VL - 97
SN - 2469-9950
SN - 2469-9969
SN - 1098-0121
SN - 1550-235X
ER -
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@article{2018_Jung,
author = {Myung Chul Jung and Kwan-Woo Lee and Warren E. Pickett and Myung-Chul Jung and Kwan Woo Lee},
title = {Perovskite ThTaN3 : A large-thermopower topological crystalline insulator},
journal = {Physical Review B},
year = {2018},
volume = {97},
publisher = {American Physical Society (APS)},
month = {mar},
url = {https://doi.org/10.1103/physrevb.97.121104},
number = {12},
doi = {10.1103/physrevb.97.121104}
}
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