Nonadiabatic Kohn Anomaly in Heavily Boron-Doped Diamond

作者:Caruso Fabio; Hoesch Moritz; Achatz Philipp; Serrano Jorge; Krisch Michael; Bustarret Etienne; Giustino Feliciano*
来源:Physical Review Letters, 2017, 119(1): 017001.
DOI:10.1103/PhysRevLett.119.017001

摘要

We report evidence of a nonadiabatic Kohn anomaly in boron-doped diamond, using a joint theoretical and experimental analysis of the phonon dispersion relations. We demonstrate that standard calculations of phonons using density-functional perturbation theory are unable to reproduce the dispersion relations of the high-energy phonons measured by high-resolution inelastic x-ray scattering. On the contrary, by taking into account nonadiabatic effects within a many-body field-theoretic framework, we obtain excellent agreement with our experimental data. This result indicates a breakdown of the Born-Oppenheimer approximation in the phonon dispersion relations of boron-doped diamond.

  • 出版日期2017-7-6