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Comment on 'Parametrization of Stillinger-Weber potential based on a valence force field model: application to single-layer MoS2 and black phosphorus'
- Source :
- Nanotechnology
- Publication Year :
- 2016
-
Abstract
- We compare the simplified valence-force model for single-layer black phosphorus with the original model and recent ab initio results. Using an analytic approach and numerical calculations we find that the simplified model yields Young's moduli that are smaller compared to the original model and are almost a factor of two smaller than ab initio results. Moreover, the Poisson ratios are an order of magnitude smaller than values found in the literature.
- Subjects :
- Materials science
Ab initio
Bioengineering
Nanotechnology
02 engineering and technology
Poisson distribution
01 natural sciences
Black phosphorus
Moduli
Condensed Matter::Materials Science
symbols.namesake
0103 physical sciences
General Materials Science
Statistical physics
Electrical and Electronic Engineering
010306 general physics
Mechanical Engineering
Atomic and molecular structure
General Chemistry
021001 nanoscience & nanotechnology
Mechanics of Materials
symbols
0210 nano-technology
Valence force field
Parametrization
Single layer
Order of magnitude
Subjects
Details
- ISSN :
- 13616528
- Volume :
- 27
- Issue :
- 23
- Database :
- OpenAIRE
- Journal :
- Nanotechnology
- Accession number :
- edsair.doi.dedup.....4b02c07c65b3a8b1a42feaebfd09ef06