Perovskite ThTaN3: A large-thermopower topological crystalline insulator
- Authors
- Jung, Myung-Chul; Lee, Kwan-Woo; Pickett, Warren E.
- Issue Date
- 8-3월-2018
- Publisher
- AMER PHYSICAL SOC
- Citation
- PHYSICAL REVIEW B, v.97, no.12
- Indexed
- SCIE
SCOPUS
- Journal Title
- PHYSICAL REVIEW B
- Volume
- 97
- Number
- 12
- URI
- https://scholar.korea.ac.kr/handle/2021.sw.korea/76746
- DOI
- 10.1103/PhysRevB.97.121104
- ISSN
- 2469-9950
- Abstract
- ThTaN3, a rare cubic perovskite nitride semiconductor, has been studied using ab initio methods. Spin-orbit coupling (SOC) results in band inversion and a band gap of 150 meV at the zone center. Despite 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 |C-m| = 2 protected by the mirror and C-4 rotational symmetries. Additionally, SOC doubles the Seebeck coefficient, leading to a maximum of similar to 400 mu V/K at 150Kfor carrier-doping levels of several 10(17)/cm(3). ThTaN3 combines excellent bulk thermopower with parallel conduction through topological surface states that may point toward newpossibilities for platforms for engineering devices with larger figures of merit.
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Collections - College of Science and Technology > Semiconductor Physics in Division of Display and Semiconductor Physics > 1. Journal Articles
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