Phonons in GaP quantum dots

The phonon structure of GaP quantum dots is studied using an atomistic pote ntial model. The dot eigenmodes are obtained from a direct diagonalization of the dynamical matrix and classified using an efficient dual-space analys is method. Our calculations provide a theoretical explanantion for several experimental observations. (1) Depending on the spatial localization, the p honon modes of dots are either dot-interior (bulklike) or surfacelike. (2) The frequencies of the dot-interior modes can be qualitatively described by the "truncated crystal method" using a single branch and a single wave vec tor of the bulk-phonon dispersion. In contrast, the surface modes cannot be described by this model. (3) The dot-interior modes have a dominant bulk p arentage from a specific part of the Brillouin zone, while the surface mode s do not. (4) The frequencies of the bulklike Gamma-derived longitudinal op tical (LO) and transverse optical (TO) phonon modes are found to decrease w ith decreasing dot size. This decrease reflects the downward dispersion of the bulk optical-phonon branches away from the Gamma point. (5) The surface modes located between the bull; TO- and LO-phonon bands have a significant bulk Gamma character, and are thus Raman detectable. (6) The dot interior modes exhibit only a slight LO/TO mode mixing, while the surfacelike modes show a strong mode mixing. [S0163-1829(99)12203-3].