Importance of Non-Adiabatic Effects in Kohn Anomalies in 1D Metals

Kohn anomalies are kinks or dips in phonon dispersions which are pronounced in low-dimensional materials. We investigate the effects of nonadiabatic phonon self-energy on Kohn anomalies in one-dimensional metals by developing a model that analyzes how the adiabatic phonon frequency, electron effective mass, and electron-phonon coupling strength influence phonon mode renormalization. We introduce an electron-phonon coupling strength threshold for low-temperature system instability, providing experimentalists with a tool to predict them. Finally, we validate the predictions of our model against first-principles calculations on a 4 Å-diameter carbon nanotube.

Authors: E. Marazzi, S. Poncé, J.-C. Charlier & G.-M. Rignanese

PHYSICAL REVIEW LETTERS 135, 256402 (2025) - DOI: 10.1103/x69r-8fw1