Nonlinear elastic behavior of graphene:<i>Ab initio</i>calculations to continuum description

Wei, Xiaoding; Fragneaud, Benjamin; Marianetti, Chris A.; Kysar, Jeffrey W.

doi:10.1103/physrevb.80.205407

Cited by 394 publications

(374 citation statements)

References 24 publications

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“…Our calculated value for in-plane stiffness of graphene (347.2 N/m) is in a good agreement with the experimental value (340 ± 50 N/m) [29], and theoretical predictions (348 N/m in ref. [30] and 335 N/m in ref. [31] [31]).…”

Section: Results and Analysismentioning

confidence: 99%

Elastic properties of hybrid graphene/boron nitride monolayer

Peng

Zamiri

et al. 2012

Acta Mech

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Abstract.Recently hybridized monolayers consisting of hexagonal boron nitride (h-BN) phases inside graphene layer have been synthesized and shown to be an effective way of opening band gap in graphene monolayers [1]. In this paper, we report a firstprinciples density functional theory study of the h-BN domain size effect on the elastic properties of graphene/boron nitride hybrid monolayers (h-BNC). We found that both in-plane stiffness and longitudinal sound velocity of h-BNC linearly decrease with h-BN concentration. Our results could be used for the design of future graphene-based nanodevices of the surface acoustic wave sensors and waveguides.

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Section: Results and Analysismentioning

confidence: 99%

Elastic properties of hybrid graphene/boron nitride monolayer

Peng

Zamiri

et al. 2012

Acta Mech

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“…For example, crystalline Si has a theoretical yield strain of B10%, above which plastic deformation results in irreversible degradation to the lattice. In contrast, covalently bonded 2D crystals can show fully elastic behaviour up to strains of B25-30%, at which point brittle fracture occurs at the ultimate strain limit of the constituent bonds 11,20 . Thus, the potential elastic limit for 2D crystals is significantly higher than that of bulk semiconductors.…”

Section: Beyond the Glass Ceilingmentioning

confidence: 99%

Two-dimensional flexible nanoelectronics

2014

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represents the tenth anniversary of modern graphene research. Over this decade, graphene has proven to be attractive for thin-film transistors owing to its remarkable electronic, optical, mechanical and thermal properties. Even its major drawback-zero bandgap-has resulted in something positive: a resurgence of interest in two-dimensional semiconductors, such as dichalcogenides and buckled nanomaterials with sizeable bandgaps. With the discovery of hexagonal boron nitride as an ideal dielectric, the materials are now in place to advance integrated flexible nanoelectronics, which uniquely take advantage of the unmatched portfolio of properties of two-dimensional crystals, beyond the capability of conventional thin films for ubiquitous flexible systems.T wo-dimensional (2D) atomic sheets are atomically thin, layered crystalline solids with the defining characteristics of intralayer covalent bonding and interlayer van der Waals bonding 1-3 . The expanding portfolio of atomic sheets illustrated in Fig. 1a currently include the archetypical 2D crystal graphene 3-14 , transition metal dichalcogenides (TMDs) 1,2,15-21 , diatomic hexagonal boron nitride (h-BN) 3,[22][23][24][25] , and emerging monoatomic buckled crystals collectively termed Xenes, which include silicene 2,26,27 , germanene 2 and phosphorene [28][29][30][31] . These materials are considered 2D because they represent the thinnest unsupported crystalline solids that can be realized, possess no dangling surface bonds and show superior intralayer (versus interlayer) transport of fundamental excitations (charge, heat, spin and light). The portfolio is expected to grow as more elemental and compound sheets are uncovered.The outstanding properties of 2D crystals have generated immense interest for both conventional semiconductor technology and the nascent flexible nanotechnology because, amongst other considerations, these atomic sheets afford the ultimate thickness scalability desired in a variety of essential material categories, including semiconductors, insulators, transparent conductors and transducers 3,16,18 . In particular, flexible nanoelectronics stand to greatly benefit from the development of 2D crystals because their unmatched combination of device physics and device mechanics is accessible on soft polymeric or plastic substrates 17,18,32,33 , which can enable the long sought after large-area high-performance flexible devices that can be manufactured at economically viable scales. As a result, existing flexible technology is expected to be transformed from low-cost commodity applications, such as radio-frequency identification tags and sensors, to integrated nanosystems with electronic performance comparable to silicon devices, in addition to affording mechanical flexibility and manufacturing form-factor beyond the capability of conventional semiconductor technology 34 . Hence, a new era in integrated flexible technology founded on 2D crystals is emerging.

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“…(19) are all negative due to the negative constitutive constants. Although structural stability of material requires that strain energy should be nonnegative for all variations of strain, 14 namely, the elastic matrices of Eqs. (18) and Eqs.…”

Section: Verifications Of the 2d Modelmentioning

confidence: 99%

Theoretical consideration of a microcontinuum model of graphene

et al. 2016

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A microcontinuum model of graphene is proposed based on micromorphic theory, in which the planar Bravais cell of graphene crystal is taken as the basal element of finite size. Governing equations including the macro-displacements and the micro-deformations of the basal element are modified and derived in global coordinates. Since independent freedom degrees of the basal element are closely related to the modes of phonon dispersions, the secular equations in micromorphic form are obtained by substituting the assumed harmonic wave equations into the governing equations, and simplified further according to the properties of phonon dispersion relations of two-dimensional (2D) crystals. Thus, the constitutive equations of the microcontinuum model are confirmed, in which the constitutive constants are determined by fitting the data of experimental and theoretical phonon dispersion relations in literature respectively. By employing the 2D microcontinuum model, we obtained sound velocities, Rayleigh velocity and elastic moduli of graphene, which show good agreements with available experimental or theoretical values, indicating that the current model would be another efficient and reliable methodology to study the mechanical behaviors of graphene.

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Nonlinear elastic behavior of graphene:Ab initiocalculations to continuum description

Cited by 394 publications

References 24 publications

Elastic properties of hybrid graphene/boron nitride monolayer

Elastic properties of hybrid graphene/boron nitride monolayer

Two-dimensional flexible nanoelectronics

Theoretical consideration of a microcontinuum model of graphene

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