title: First-principles calculations of pseudolocal vibrational modes: the case of Cu and Cu pairs in Si.
abstract: Pseudolocal vibrational modes (pLVMs) are defect-related vibrational modes which are localized despite being below the phonon maximum. Such modes are sometimes seen as phonon replicas in photoluminescence spectra. The pLVMs associated with two copper-related defects are calculated from first-principles density-functional theory in periodic supercells. The localization of the pLVMs is quantified using the magnitude of the eigenvectors of the dynamical matrix.
authors.affiliation: Physics Department, Texas Tech University, Lubbock, Texas 79409-1051, USA. stefan.estreicher@ttu.edu
authors.forename: S K
authors.initials: SK
authors.lastname: Estreicher
authors.forename: D
authors.initials: D
authors.lastname: West
authors.forename: J
authors.initials: J
authors.lastname: Goss
authors.forename: S
authors.initials: S
authors.lastname: Knack
authors.forename: J
authors.initials: J
authors.lastname: Weber