The DOI matches its Crossref record; 3 of the 3 references it cites were found in a registry or an index.
First principles phonon calculations in materials science
Open accessAbstract
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.
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Cites
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Perdew, J. P., Burke, K., & Ernzerhof, M. (1996) · Physical Review Letters · doi:10.1103/physrevlett.77.3865 · Cited by 215,824
Projector augmented-wave method
Blöchl, P. E. (1994) · Physical Review B · doi:10.1103/physrevb.50.17953 · Cited by 92,732
From ultrasoft pseudopotentials to the projector augmented-wave method
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Cited by
First-principles Phonon Calculations with Phonopy and Phono3py
Togo, A. (2023) · Journal of the Physical Society of Japan · doi:10.7566/jpsj.92.012001 · Cited by 1,865
Self-citationA universal graph deep learning interatomic potential for the periodic table
Chen, C., & Ong, S. P. (2022) · Nature Computational Science · doi:10.1038/s43588-022-00349-3 · Cited by 1,140
From DFT to machine learning: recent approaches to materials science–a review
Schleder, G. R., Padilha, A. C. M., Acosta, C. M., Costa, M., & Fazzio, A. (2019) · Journal of Physics: Materials · doi:10.1088/2515-7639/ab084b · Cited by 852
Raman Spectra of Polycrystalline CeO2: A Density Functional Theory Study
Schilling, C., Hofmann, A., Hess, C., & Ganduglia-Pirovano, M. V. (2017) · The Journal of Physical Chemistry C · doi:10.1021/acs.jpcc.7b06643 · Cited by 513
Suppression of magnetic ordering in XXZ-type antiferromagnetic monolayer NiPS3
Kim, K., Lim, S. Y., Lee, J.-U., Lee, S., Kim, T. Y., Park, K., Jeon, G. S., Park, C.-H., Park, J.-G., & Cheong, H. (2019) · Nature Communications · doi:10.1038/s41467-018-08284-6 · Cited by 452
Metadata
- Authors
- Togo, A., & Tanaka, I.
- Venue
- Scripta Materialia
- Publisher
- Elsevier BV
- Published
- 2015-11
- Volume
- 108
- Pages
- 1-5
- ISSN
- 1359-6462 (ISSN-L)
- OpenAlex
- W832976576
- Cited by
- 11,549
- References
- 3
- FWCI
- 146.95
- Type
- journal article
- Language
- en
- Open access
- hybrid
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