In-plane breathing and shear modes in low-dimensional nanostructures
We use continuum elasticity theory to revise scaling laws for radial breathing-like and shear-like vibration modes in quasi-2D nanostructures including finite-width nanoribbons and finite-size thin circular discs. Such modes can be observed spectroscopically in corresponding nanostructures of graphe...
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| Veröffentlicht in: | Carbon (New York) 2020-02, Vol.157, p.364-370 |
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| creator | Liu, Dan Daniels, Colin Meunier, Vincent Every, Arthur G. Tománek, David |
| description | We use continuum elasticity theory to revise scaling laws for radial breathing-like and shear-like vibration modes in quasi-2D nanostructures including finite-width nanoribbons and finite-size thin circular discs. Such modes can be observed spectroscopically in corresponding nanostructures of graphene and phosphorene and can be determined numerically by atomistic ab initio density functional theory and classical force-field calculation. The revised scaling laws differ from previously used expressions, some of which display an unphysical asymptotic behavior. Apart from model assumptions describing the effect of edge termination, the continuum scaling laws have no adjustable parameters and display correct asymptotic behavior. These scaling laws yield excellent agreement with experimental and numerical results for vibration frequencies in both isotropic and anisotropic structures as well as useful expressions for the frequency dependence on structure size and edge termination.
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| doi_str_mv | 10.1016/j.carbon.2019.10.041 |
| format | Article |
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[Display omitted]</description><subject>ab initio</subject><subject>Asymptotic properties</subject><subject>Density functional theory</subject><subject>DFT</subject><subject>Elasticity</subject><subject>Graphene</subject><subject>Graphene nanoribbon</subject><subject>Nanostructure</subject><subject>Nanostructured materials</subject><subject>Phosphorene</subject><subject>Radial breathing mode</subject><subject>Raman</subject><subject>RBM</subject><subject>Scaling laws</subject><subject>Spectrum analysis</subject><subject>Two dimensional materials</subject><subject>Vibration</subject><subject>Vibration mode</subject><issn>0008-6223</issn><issn>1873-3891</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2020</creationdate><recordtype>article</recordtype><recordid>eNp9kEtLxDAUhYMoOI7-AxcF1615TZpuBBlfAwNudB3S5NZJ6SRj0ir-ezPUtavLPZxzuPdD6JrgimAibvvK6NgGX1FMmixVmJMTtCCyZiWTDTlFC4yxLAWl7BxdpNTnlUvCF-hh48vDoD0UbQQ97pz_KLS3RdqBjsU-WEiF88UQvkvr9uCTC14Phdc-pDFOZpwipEt01ukhwdXfXKL3p8e39Uu5fX3erO-3pWESj6VedUSA5I2UgoKtAddEM25pYyjlYKDLQzZ2pUXbmZVpgYHETGghjG6EZkt0M_ceYvicII2qD1PM9yRFGZOE1Lwh2cVnl4khpQidOkS31_FHEayOvFSvZl7qyOuoZl45djfHIH_w5SCqZBx4A9ZFMKOywf1f8Av3jHXA</recordid><startdate>202002</startdate><enddate>202002</enddate><creator>Liu, Dan</creator><creator>Daniels, Colin</creator><creator>Meunier, Vincent</creator><creator>Every, Arthur G.</creator><creator>Tománek, David</creator><general>Elsevier Ltd</general><general>Elsevier BV</general><scope>AAYXX</scope><scope>CITATION</scope><scope>7SR</scope><scope>8FD</scope><scope>JG9</scope><orcidid>https://orcid.org/0000-0002-5211-4865</orcidid><orcidid>https://orcid.org/0000-0002-7013-179X</orcidid><orcidid>https://orcid.org/0000-0003-1131-4788</orcidid></search><sort><creationdate>202002</creationdate><title>In-plane breathing and shear modes in low-dimensional nanostructures</title><author>Liu, Dan ; Daniels, Colin ; Meunier, Vincent ; Every, Arthur G. ; Tománek, David</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-c380t-a5f16e8498862ed7e071a34d29c224ecef22489d5a6bfc5cbe3e8036a66ca96a3</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>2020</creationdate><topic>ab initio</topic><topic>Asymptotic properties</topic><topic>Density functional theory</topic><topic>DFT</topic><topic>Elasticity</topic><topic>Graphene</topic><topic>Graphene nanoribbon</topic><topic>Nanostructure</topic><topic>Nanostructured materials</topic><topic>Phosphorene</topic><topic>Radial breathing mode</topic><topic>Raman</topic><topic>RBM</topic><topic>Scaling laws</topic><topic>Spectrum analysis</topic><topic>Two dimensional materials</topic><topic>Vibration</topic><topic>Vibration mode</topic><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>Liu, Dan</creatorcontrib><creatorcontrib>Daniels, Colin</creatorcontrib><creatorcontrib>Meunier, Vincent</creatorcontrib><creatorcontrib>Every, Arthur G.</creatorcontrib><creatorcontrib>Tománek, David</creatorcontrib><collection>CrossRef</collection><collection>Engineered Materials Abstracts</collection><collection>Technology Research Database</collection><collection>Materials Research Database</collection><jtitle>Carbon (New York)</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>Liu, Dan</au><au>Daniels, Colin</au><au>Meunier, Vincent</au><au>Every, Arthur G.</au><au>Tománek, David</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>In-plane breathing and shear modes in low-dimensional nanostructures</atitle><jtitle>Carbon (New York)</jtitle><date>2020-02</date><risdate>2020</risdate><volume>157</volume><spage>364</spage><epage>370</epage><pages>364-370</pages><issn>0008-6223</issn><eissn>1873-3891</eissn><abstract>We use continuum elasticity theory to revise scaling laws for radial breathing-like and shear-like vibration modes in quasi-2D nanostructures including finite-width nanoribbons and finite-size thin circular discs. Such modes can be observed spectroscopically in corresponding nanostructures of graphene and phosphorene and can be determined numerically by atomistic ab initio density functional theory and classical force-field calculation. The revised scaling laws differ from previously used expressions, some of which display an unphysical asymptotic behavior. Apart from model assumptions describing the effect of edge termination, the continuum scaling laws have no adjustable parameters and display correct asymptotic behavior. These scaling laws yield excellent agreement with experimental and numerical results for vibration frequencies in both isotropic and anisotropic structures as well as useful expressions for the frequency dependence on structure size and edge termination.
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| language | eng |
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| source | Elsevier ScienceDirect Journals Complete |
| subjects | ab initio Asymptotic properties Density functional theory DFT Elasticity Graphene Graphene nanoribbon Nanostructure Nanostructured materials Phosphorene Radial breathing mode Raman RBM Scaling laws Spectrum analysis Two dimensional materials Vibration Vibration mode |
| title | In-plane breathing and shear modes in low-dimensional nanostructures |
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