Transport coefficients of layered TiS3

Research output: Contribution to journalResearch articleContributedpeer-review

Contributors

Abstract

We investigate the electrical and thermal transport coefficients of an emergent transition metal tri-chalcogenide, namely, TiS3. We implement an accurate description of the electron-phonon coupling and thus of the energy dependence of the relaxation time, which goes beyond the commonly used approximations. We find that standard calculation methods fail in accurately describing the thermoelectric transport properties of TiS3 and one needs to go beyond standard approximations to correctly investigate the thermoelectric performance of TiS3 and other 2D materials. By applying state-of-the-art ab initio methods, we conclude that TiS3 stands as a potential candidate for thermoelectric applications.

Details

Original languageEnglish
Article number014004
JournalPhysical review materials
Volume6
Issue number1
Publication statusPublished - Jan 2022
Peer-reviewedYes

External IDs

ORCID /0000-0002-2580-0560/work/142241716