Accurate projected augmented wave (PAW) datasets for rare-earth elements (RE=La–Lu)
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All the data produced in this work is freely available on the Materials Cloud online platform, where the user can interactively browse the results and explore the data provenance.
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- Authors
- Topsakal, M., & Wentzcovitch, R. M.
- Affiliations
- University of Minnesota (US)
- Corresponding author
- Topsakal, M.
- Venue
- Computational Materials Science
- Publisher
- Elsevier BV
- Published
- 2014-12
- Volume
- 95
- Pages
- 263-270
- ISSN
- 0927-0256 (ISSN-L)
- OpenAlex
- W2025595095
- Cited by
- 232
- References
- 43
- Citations by year
- 2026: 23 · 2025: 31 · 2024: 35 · 2023: 29 · 2022: 20 · 2021: 20 · 2020: 23 · 2019: 9 · 2018: 17 · 2017: 14 · 2016: 6 · 2015: 4 · 2014: 1
- FWCI
- 4.15
- Type
- journal article
- Language
- en
- Open access
- closed
- Locations
- Computational Materials Science (publishedVersion)
- Funders
- National Science Foundation
- Vanderbilt University
- Materials Research Science and Engineering Center, Harvard University
- Division of Materials Research
- Topics
- Physical Sciences › Physics and Astronomy › Atomic and Molecular Physics, and Optics › Advanced Chemical Physics Studies
- Physical Sciences › Materials Science › Materials Chemistry › Machine Learning in Materials Science
- Physical Sciences › Physics and Astronomy › Condensed Matter Physics › Rare-earth and actinide compounds
- Keywords
- rare earth elements, rare earth nitrides, Hubbard U parameter, density of states, equation of state, hybrid functionals, open-source dataset
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