Semantic Scholar Open Access 2015 9368 sitasi

First principles phonon calculations in materials science

A. Togo I. Tanaka

Lihat Sumber DOI

Abstrak

Abstract Phonon plays essential roles in dynamical behaviors and thermal properties, which are central topics in fundamental issues of materials science. The importance of first principles phonon calculations cannot be overly emphasized. Phonopy is an open source code for such calculations launched by the present authors, which has been world-widely used. Here we demonstrate phonon properties with fundamental equations and show examples how the phonon calculations are applied in materials science.

Topik & Kata Kunci

Materials Science Physics

Penulis (2)

A. Togo

I. Tanaka

Format Sitasi

APA MLA BibTeX

Togo, A., Tanaka, I. (2015). First principles phonon calculations in materials science. https://doi.org/10.1016/J.SCRIPTAMAT.2015.07.021

Akses Cepat

Lihat di Sumber doi.org/10.1016/J.SCRIPTAMAT.2015.07.021

Informasi Jurnal

Tahun Terbit: 2015
Bahasa: en
Total Sitasi: 9368×
Sumber Database: Semantic Scholar
DOI: 10.1016/J.SCRIPTAMAT.2015.07.021
Akses: Open Access ✓