Phonons and related crystal properties from density-functional perturbation theory

Abstract

This article reviews the current status of lattice-dynamical calculations in\ncrystals, using density-functional perturbation theory, with emphasis on the\nplane-wave pseudo-potential method. Several specialized topics are treated,\nincluding the implementation for metals, the calculation of the response to\nmacroscopic electric fields and their relevance to long wave-length vibrations\nin polar materials, the response to strain deformations, and higher-order\nresponses. The success of this methodology is demonstrated with a number of\napplications existing in the literature.\n

Keywords

PhysicsPhononPerturbation (astronomy)Perturbation theory (quantum mechanics)Lattice (music)Density functional theoryPlane waveLattice vibrationCondensed matter physicsVibrationStatistical physicsClassical mechanicsTheoretical physicsQuantum mechanics

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Publication Info

Year: 2001
Type: article
Volume: 73
Issue: 2
Pages: 515-562
Citations: 9261
Access: Closed

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APA Style

                            
                                
                                    Stefano Baroni, 
                                
                                    Stefano de Gironcoli, 
                                
                                    Andrea Dal Corso
                                
                                et al.
                            
                            (2001). 
                            Phonons and related crystal properties from density-functional perturbation theory. 
                            Reviews of Modern Physics
                            , 73
                            (2)
                            , 515-562.
                            https://doi.org/10.1103/revmodphys.73.515
                        

Identifiers

DOI: 10.1103/revmodphys.73.515