The DOI matches its Crossref record; 32 of the 32 references it cites were found in a registry or an index.
Thermal Contraction and Disordering of the Al(110) Surface
Open accessAbstract
Al(110) has been studied for temperatures up to 900 K via ensemble density-functional molecular dynamics. The strong anharmonicity displayed by this surface results in a negative coefficient of thermal expansion, where the first interlayer distance decreases with increasing temperature. Very shallow channels of oscillation for the second-layer atoms in the direction perpendicular to the surface support this anomalous contraction, and provide a novel mechanism for the formation of adatom-vacancy pairs, preliminary to the disordering and premelting transition. Such characteristic behavior originates in the free-electron-gas bonding at a loosely packed surface.
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“Leveraging the SSSP protocol, we identify two optimal PSP libraries, named SSSP efficiency and SSSP precision (version 1.1), that provide thoroughly tested and precise PSPs for 85 elements of the periodic table, selected from publicly available PSP libraries [16-22], for which the original authors should be acknowledged.”
From Precision and efficiency in solid-state pseudopotential calculations (2018) · cites this paper as [19]
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“Leveraging the SSSP protocol, we identify two optimal PSP libraries, named SSSP efficiency and SSSP precision (version 1.1), that provide thoroughly tested and precise PSPs for 85 elements of the periodic table, selected from publicly available PSP libraries [16-22], for which the original authors should be acknowledged.”
From Precision and efficiency in solid-state pseudopotential calculations (2018) · cites this paper as [19]
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Cites
Computer Simulation of Liquids
Allen, M. P., & Tildesley, D. J. (2017) · doi:10.1093/oso/9780198803195.001.0001 · Cited by 20,945
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High-precision sampling for Brillouin-zone integration in metals
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Observation of Surface Melting
Frenken, J. W. M., & van der Veen, J. F. (1985) · Physical Review Letters · doi:10.1103/physrevlett.54.134 · Cited by 769
Fu, C. L., & Ho, K. M. (1983) · Physical review. B, Condensed matter · doi:10.1103/physrevb.28.5480 · Cited by 597
Marzari, N., Vanderbilt, D. H., & Payne, M. C. (1997) · Physical Review Letters · doi:10.1103/physrevlett.79.1337 · Cited by 404
Self-citationLow-Temperature Elastic Moduli of Aluminum
Kamm, G. N., & Alers, G. A. (1964) · Journal of Applied Physics · doi:10.1063/1.1713309 · Cited by 370
Theory of lattice contraction at aluminium surfaces
Finnis, M. W., & Heine, V. (1974) · Journal of Physics F Metal Physics · doi:10.1088/0305-4608/4/3/002 · Cited by 313
Lattice dynamics of metals from density-functional perturbation theory
de Gironcoli, S. (1995) · Physical review. B, Condensed matter · doi:10.1103/physrevb.51.6773 · Cited by 310
Monte Carlo and molecular dynamics of condensed matter systems
Selke, W. (1997) · Journal of Statistical Physics · doi:10.1007/bf02181259 · Cited by 300
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- E. V. Zarochentsev, 1976, Sov. Phys. Solid State, 18, 239
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QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials
Giannozzi, P., Baroni, S., Bonini, N., Calandra, M., Car, R., Cavazzoni, C., Ceresoli, D., Chiarotti, G., Cococcioni, M., Dabo, I., et al. (2009) · Journal of Physics Condensed Matter · doi:10.1088/0953-8984/21/39/395502 · Cited by 29,793
Self-citationFirst-principles simulation: ideas, illustrations and the CASTEP code
Segall, M., Lindan, P. J. D., Probert, M. I. J., Pickard, C. J., Hasnip, P. J., Clark, S. J., & Payne, M. C. (2002) · Journal of Physics Condensed Matter · doi:10.1088/0953-8984/14/11/301 · Cited by 11,895
Self-citationPhonons and related crystal properties from density-functional perturbation theory
Baroni, S., de Gironcoli, S., Corso, A. D., & Giannozzi, P. (2001) · Reviews of Modern Physics · doi:10.1103/revmodphys.73.515 · Cited by 10,171
Mounet, N., Gibertini, M., Schwaller, P., Campi, D., Merkys, A., Marrazzo, A., Sohier, T., Castelli, I. E., Cepellotti, A., Pizzi, G., et al. (2018) · Nature Nanotechnology · doi:10.1038/s41565-017-0035-5 · Cited by 1,863
Self-citationReproducibility in density functional theory calculations of solids
Lejaeghere, K., Bihlmayer, G., Björkman, T., Blaha, P., Blügel, S., Blum, V., Caliste, D., Castelli, I. E., Clark, S. J., Dal Corso, A., et al. (2016) · Science · doi:10.1126/science.aad3000 · Cited by 1,649
Self-citation
Metadata
- Authors
- Marzari, N., Vanderbilt, D., De Vita, A., & Payne, M. C.
- Affiliations
- Rutgers, The State University of New Jersey (US)
- University of Cambridge (GB)
- Venue
- Physical Review Letters
- Publisher
- American Physical Society (APS)
- Published
- 1999-04-19
- Volume
- 82
- Issue
- 16
- Pages
- 3296-3299
- ISSN
- 0031-9007 (ISSN-L)
- 1079-7114
- OpenAlex
- W2156225033
- Cited by
- 1,255
- References
- 32
- Citations by year
- 2026: 98 · 2025: 97 · 2024: 106 · 2023: 106 · 2022: 88 · 2021: 118 · 2020: 81 · 2019: 80 · 2018: 68 · 2017: 73 · 2016: 50 · 2015: 45 · 2014: 43 · 2013: 32 · 2012: 29
- FWCI
- 32.61
- Type
- journal article
- Language
- en
- Open access
- green
- arxiv.org
- Locations
- Physical Review Letters (publishedVersion)
- arXiv (Cornell University) (submittedVersion)
- ArTS Archivio della ricerca di Trieste (University of Trieste https://www.units.it/) (submittedVersion)
- Infoscience (Ecole Polytechnique Fédérale de Lausanne) (submittedVersion)
- Infoscience (Ecole Polytechnique Fédérale de Lausanne) (submittedVersion, cc-by-nc-nd)
- arXiv (Cornell University)
- Topics
- Physical Sciences › Materials Science › Metals and Alloys › Thermodynamic and Structural Properties of Metals and Alloys
- Physical Sciences › Physics and Astronomy › Condensed Matter Physics › Surface and Thin Film Phenomena
- Physical Sciences › Materials Science › Materials Chemistry › Thermal Expansion and Ionic Conductivity
- Keywords
- Al(110) surface, thermal contraction, negative thermal expansion, interlayer spacing, surface disordering
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