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Kim, Sung Youb
Computational Advanced Nanomechanics (CAN) Lab
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  • Computational Mechanics

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Negative In-Plane Poisson's Ratio for Single Layer Black Phosphorus: An Atomistic Simulation Study

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dc.contributor.authorDuc Tam Hoko
dc.contributor.authorViet Hung Hoko
dc.contributor.authorPark, Harold S.ko
dc.contributor.authorKim, Sung Youbko
dc.date.available2018-01-11T11:29:45Z-
dc.date.created2017-12-29ko
dc.date.issued201712ko
dc.identifier.citationPHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS, v.254, no.12, pp.1700285 -ko
dc.identifier.issn0370-1972ko
dc.identifier.urihttp://scholarworks.unist.ac.kr/handle/201301/23180-
dc.identifier.urihttp://onlinelibrary.wiley.com/doi/10.1002/pssb.201700285/abstractko
dc.description.abstractWe utilized molecular statics (MS) simulations to investigate the auxeticity of single layer black phosphorus (SLBP). Our simulation results show that the SLBP has a negative in-plane Poisson's ratio in the zigzag direction when the applied strain along the armchair direction exceeds 0.018. We show that the interplay between bond stretching and bond rotating modes determines the in-plane Poisson's ratio behavior. While the bond stretching mode always tends to increase the in-plane auxeticity, the bond rotating mode might increase or decrease the in-plane auxeticity. Furthermore, we show that graphite also exhibits an in-plane negative Poisson's ratio at finite strains due to a similar mechanism.ko
dc.languageENGko
dc.publisherWILEY-V C H VERLAG GMBHko
dc.subjectatomistic simulationsko
dc.subjectblack phosphorusko
dc.subjectgrapheneko
dc.subjectgraphiteko
dc.subjectnegative Poisson’s ratioko
dc.titleNegative In-Plane Poisson's Ratio for Single Layer Black Phosphorus: An Atomistic Simulation Studyko
dc.typeARTICLEko
dc.identifier.pid1040null
dc.identifier.rimsid29543ko
dc.identifier.scopusid2-s2.0-85037741687ko
dc.identifier.wosid000417613300019ko
dc.type.rimsAko
dc.identifier.doihttp://dx.doi.org/10.1002/pssb.201700285ko
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