A first-principles study on the electrical conductivity of Ag2S1−xSex (x = 0, 0.25, 0.5): Electron

A first-principles study on the electrical conductivity of Ag₂S_1−xSe_x (x = 0, 0.25, 0.5): Electron–phonon coupling

Published:2022-04-04 Issue:14 Volume:120 Page:143903
ISSN:0003-6951
Container-title:Applied Physics Letters
language:en
Short-container-title:Appl. Phys. Lett.

Author:

Nam Ho Ngoc¹²^ORCID,Suzuki Katsuhiro²,Masago Akira³,Nguyen Tien Quang²,Shinya Hikari³⁴⁵^ORCID,Fukushima Tetsuya³⁶⁷^ORCID,Sato Kazunori²³

Affiliation:

1. Department of Precision Science and Technology, Graduate School of Engineering, Osaka University, 2-1 Yamadaoka, Suita, Osaka 565-0871, Japan

2. Division of Materials and Manufacturing Science, Graduate School of Engineering, Osaka University, 2-1 Yamadaoka, Suita, Osaka 565-0871, Japan

3. Center for Spintronics Research Network, Graduate School of Engineering Science, Osaka University, Toyonaka, Osaka 560-8531, Japan

4. Research Institute of Electrical Communication, Tohoku University, Sendai, Miyagi 980-8577, Japan

5. Center for Spintronics Research Network, Tohoku University, Sendai, Miyagi 980-8577, Japan

6. Institute of Solid State Physics, The University of Tokyo, 5-1-5 Kashiwanoha, Kashiwa, Chiba 277-8581, Japan

7. Institute for AI and Beyond, The University of Tokyo, Bunkyo-ku, Tokyo 113-8656, Japan

Abstract

The development of flexible thermoelectric devices is gradually attracting increasing attention, particularly in the field of material design. In this study, we use first-principles calculations combined with Boltzmann equations to study the electronic and transport properties of Ag2S1− xSe x, a key material with many important properties and extraordinary ductility, as well as a wide range of thermoelectric applications. The effect of Se alloying on the electronic structure of Ag2S and defect formation is investigated, and the role of alloying in increasing the n-type carrier concentration is discussed. The electron–phonon coupling approximation is used to reproduce the experimentally observed transport properties reasonably well, which shows that this scattering model is suitable for predicting the transport properties of semiconductors in thermoelectric applications.

Funder

Core Research for Evolutional Science and Technology

Publisher

AIP Publishing

Subject

Physics and Astronomy (miscellaneous)

Link

https://aip.scitation.org/doi/pdf/10.1063/5.0086703

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