Comparative study of phonon-limited carrier transport in the nodal-line semimetal ZrSiX (X = S, Se, Te) family

Oral-In-person

Abstract

ZrSiX (X = S, Se, Te) topological square-net nodal-line semimetals offer a clean platform to probe charge transport. We present a cross-family, first-principles study of phonon-limited transport using Wannier-interpolated electron-phonon coupling within the Boltzmann transport formalism. We analyze temperature-dependent conductivity trends across the series and relate them to the underlying electronic and vibrational structures. Our zero-field results are compared with available experimental measurements, showing consistent magnitudes and trends. This provides a reproducible baseline for phonon-limited transport in the ZrSiX family.

Presenters

  • Charbel Dawra

    • SUNY Binghamton University

Authors

  • Charbel Dawra

    • SUNY Binghamton University
  • Shashi Mishra

  • Zhe Liu

    • SUNY Binghamton University
  • Elena Margine

    • Binghamton University