2016/02/22 by Fawei Zheng, Ping Zhang, Zheng, Fawei +1
Physics and Astronomy · #Advanced Chemical Physics Studies #FOS: Physical sciences #Materials Science (cond-mat.mtrl-sci) #Mesoscale and Nanoscale Physics (cond-mat.mes-hall) #Quantum, superfluid, helium dynamics #Spectroscopy and Quantum Chemical Studies
paper · pdf · doi:10.48550/arxiv.1602.06655
openalex publication_date 2016/02/22 · openalex created_date 2016/06/24 · openalex updated_date 2026/07/28
The phonon dispersion unfolding method is useful for obtaining hidden Bloch symmetries and comparing theoretical results with experiment spectrums (e.g., inelastic neutron scattering, inelastic X-ray scattering, Raman). In this paper, we propose a method to unfold phonon dispersions. The main advantage of this method is the ability to handle systems with heavy breaking of spatial translational symmetry. Its validity is tested by pure diamond, diamond with Si substitution, and diamond with C vacancies.