Non-adiabatic Kohn Anomaly in Heavily Boron-doped Diamond

Abstract

We report evidence of a non-adiabatic 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 non-adiabatic 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.

6 pages, 2 figures

References in corpus (8)

• Quantum ESPRESSO: a modular and open-source software project for quantum simulations of materials
• Non-adiabatic Kohn-anomaly in a doped graphene monolayer
• Optical Phonons in Carbon Nanotubes: Kohn Anomalies, Peierls Distortions and Dynamic Effects
• Three-dimensional MgB${}_2$-type superconductivity in hole-doped diamond
• Origin of Superconductivity in Boron-doped Diamond
• Giant non-adiabatic effects in layer metals: Raman spectra of intercalated graphite explained
• Energy Gaps and Kohn Anomalies in Elemental Superconductors
• Low-energy electrodynamics of superconducting diamond

Cited by in corpus (3)

• Nonequilibrium Lattice Dynamics in Monolayer MoS2
• Exact factorization-based density functional theory of electron-phonon systems
• Emergence of large non-adiabatic effects induced by the electron-phonon interaction on the complex vibrational quasi-particle spectrum of the doped monolayer MoS${}_2$