Semantic Scholar Open Access 2000 6857 sitasi

Phonons and related crystal properties from density-functional perturbation theory

S. Baroni Stefano de Gironcoli A. D. Corso P. Giannozzi

Lihat Sumber DOI

Abstrak

This article reviews the current status of lattice-dynamical calculations in crystals, using density-functional perturbation theory, with emphasis on the plane-wave pseudopotential 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-wavelength 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.

Topik & Kata Kunci

Physics

Penulis (4)

S. Baroni

Stefano de Gironcoli

A. D. Corso

P. Giannozzi

Format Sitasi

APA MLA BibTeX

Baroni, S., Gironcoli, S.d., Corso, A.D., Giannozzi, P. (2000). Phonons and related crystal properties from density-functional perturbation theory. https://doi.org/10.1103/RevModPhys.73.515

Akses Cepat

Lihat di Sumber doi.org/10.1103/RevModPhys.73.515

Informasi Jurnal

Tahun Terbit: 2000
Bahasa: en
Total Sitasi: 6857×
Sumber Database: Semantic Scholar
DOI: 10.1103/RevModPhys.73.515
Akses: Open Access ✓