Electron-phonon scattering limited intrinsic electrical conductivity of metallic MXenes X2C (X= Ti or Mo)

Ziang Jing, Jingya Liu, Nan Li, Hongwei Wang, Kai Wu, Yonghong Cheng, Bing Xiao

Research output: Contribution to journalArticlepeer-review

Abstract

The electron-phonon (e-p) scattering mechanism in two metallic MXenes (Ti2C and Mo2C) are investigated using the advanced Wannier-Fourier interpolation scheme. It is found that for both MXenes, the strongly interacting phonons with electrons are mainly attributed to the transverse and longitudinal optical modes (TO + LO). Among acoustic phonon branches, longitudinal acoustic mode exhibits higher coupling strength than either flexural mode or transverse mode. The predicted total e-p coupling of Ti2C (0.280) is smaller than that of Mo2C (0.926). The e-p coupling mechanism in Ti2C or Mo2C is different from graphene, but similar to that of transition-metal dichalcogenides. For the electronic band dispersion most adjacent to Fermi level, we predict the mean electron linewidths of 16.4 meV for Ti2C and 14.3 meV for Mo2C. Using the Ziman formula, the electrical conductivities of Ti2C and Mo2C at 300 K are found to be 5.497 × 104 S cm-1 for Ti2C and 1.593 × 104 S cm-1 for Mo2C with the associated relaxation times 90 fs and 185 fs, respectively. Our calculations indicate that the overall electrical conductivity is determined by both of the e-p coupling and electron concentration in metallic MXenes.

Original languageEnglish (US)
Article number015301
JournalJournal of Physics D: Applied Physics
Volume54
Issue number1
DOIs
StatePublished - Jan 2021

Bibliographical note

Publisher Copyright:
© 2020 IOP Publishing Ltd.

Keywords

  • EPW
  • electron-phonon scattering
  • intrinsic electron conductivity
  • metallic MXenes

Fingerprint

Dive into the research topics of 'Electron-phonon scattering limited intrinsic electrical conductivity of metallic MXenes X<sub>2</sub>C (X= Ti or Mo)'. Together they form a unique fingerprint.

Cite this