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김성엽

Kim, Sung Youb
Computational Advanced Nanomechanics Lab.
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Negative In-Plane Poisson's Ratio for Single Layer Black Phosphorus: An Atomistic Simulation Study

Author(s)
Duc Tam HoViet Hung HoPark, Harold S.Kim, Sung Youb
Issued Date
2017-12
DOI
10.1002/pssb.201700285
URI
https://scholarworks.unist.ac.kr/handle/201301/23180
Fulltext
http://onlinelibrary.wiley.com/doi/10.1002/pssb.201700285/abstract
Citation
PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS, v.254, no.12, pp.1700285
Abstract
We 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.
Publisher
WILEY-V C H VERLAG GMBH
ISSN
0370-1972
Keyword (Author)
atomistic simulationsblack phosphorusgraphenegraphitenegative Poisson&aposs ratio
Keyword
FIELD-EFFECT TRANSISTORSCUBIC MATERIALSGRAPHENETRANSPORTANISOTROPYMOBILITYBATTERYBOND

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