The DOI matches its Crossref record; 1 of the 1 references it cites were found in a registry or an index.
Van der Waals Density Functional for Layered Structures
Open accessAbstract
To understand sparse systems, we must account for both strong local atom bonds and weak nonlocal van der Waals forces between atoms separated by empty space. A fully nonlocal functional form [Phys. Rev. B 62, 6997 (2000)]] of density-functional theory (DFT) is applied here to the layered systems graphite, boron nitride, and molybdenum sulfide to compute bond lengths, binding energies, and compressibilities. These key examples show that the DFT with the generalized-gradient approximation does not apply for calculating properties of sparse matter, while use of the fully nonlocal version appears to be one way to proceed.
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Citations
Cites
Generalized Gradient Approximation Made Simple
Perdew, J. P., Burke, K., & Ernzerhof, M. (1996) · Physical Review Letters · doi:10.1103/physrevlett.77.3865 · Cited by 215,824
Cited by
The electronic properties of graphene
Castro Neto, A. H., Guinea, F., Peres, N. M. R., Novoselov, K. S., & Geim, A. K. (2009) · Reviews of Modern Physics · doi:10.1103/revmodphys.81.109 · Cited by 24,803
“The SWMmodel has been revisited in re ent yearsbe ause of its inability to des ribe the van der Waals-likeintera tions between graphene planes, a problem that re- 3quires the understanding of many-body e e ts that gobeyond the band stru ture des ription (Rydberg et al.,2003).”
BackgroundLong-range corrected hybrid density functionals with damped atom–atom dispersion corrections
Chai, J.-D., & Head-Gordon, M. (2008) · Physical Chemistry Chemical Physics · doi:10.1039/b810189b · Cited by 14,648
Commentary: The Materials Project: A materials genome approach to accelerating materials innovation
Jain, A., Ong, S. P., Hautier, G., Chen, W., Richards, W. D., Dacek, S., Cholia, S., Gunter, D., Skinner, D., Ceder, G., et al. (2013) · APL Materials · doi:10.1063/1.4812323 · Cited by 13,094
Bučko, T., Hafner, J., Lebègue, S., & Ángyán, J. G. (2010) · The Journal of Physical Chemistry A · doi:10.1021/jp106469x · Cited by 1,121
Tuning the MoS 2 Edge-Site Activity for Hydrogen Evolution via Support Interactions
Tsai, C., Abild-Pedersen, F., & Nørskov, J. K. (2014) · Nano Letters · doi:10.1021/nl404444k · Cited by 760
Metadata
- Authors
- Rydberg, H., Dion, M., Jacobson, N., Schröder, E., Hyldgaard, P., Simak, S. I., Langreth, D. C., & Lundqvist, B. I.
- Venue
- Physical Review Letters
- Publisher
- American Physical Society (APS)
- Published
- 2003-09-18
- Volume
- 91
- Issue
- 12
- Pages
- 126402-126402
- ISSN
- 0031-9007 (ISSN-L)
- 1079-7114
- OpenAlex
- W2166117776
- Cited by
- 703
- References
- 1
- FWCI
- 15.39
- Type
- journal article
- Language
- en
- Open access
- green
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- Rydberg, H., Dion, M., Jacobson, N., Schröder, E., Hyldgaard, P., Simak, S. I., Langreth, D. C., & Lundqvist, B. I. (2003). Van der Waals Density Functional for Layered Structures. Physical Review Letters. https://doi.org/10.1103/physrevlett.91.126402
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