2000/12/06 by S. Baroni, S. de Gironcoli, A. Dal Corso +1 · 1 citation
Physics and Astronomy · #cond-mat.mtrl-sci
paper · pdf · doi:10.1103/revmodphys.73.515
published as Rev. Mod. Phys. 73, 515-562 (2001) · 52 pages, 14 figures, submitted to Review of Modern Physics
arxiv created 2000/12/06 · arxiv updated 2009/11/30
This article reviews the current status of lattice-dynamical calculations in crystals, using density-functional perturbation theory, with emphasis on the plane-wave pseudo-potential method. Several specialized topics are treated, including the implementation for metals, the calculation of the response to macroscopic electric fields and their relevance to long wave-length vibrations in polar materials, the response to strain deformations, and higher-order responses. The success of this methodology is demonstrated with a number of applications existing in the literature.