Anisotropic mechanical behavior of two dimensional silicon carbide: effect of temperature and vacancy defects

Islam, A. S. M. Jannatul; Islam, Md. Sherajul; Ferdous, Naim; Park, Jeongwon; Bhuiyan, Ashraful G.; Hashimoto, Akihiro

doi:10.1088/2053-1591/ab5a96

Cited by 38 publications

(48 citation statements)

References 61 publications

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“…The mechanical properties of 2D SiC might vary significantly depending on uniaxial stress, temperature, vacancy defects, vacancy concentration, strain rate, etc. [ 86 , 88 , 89 ]. For instance, a considerable mechanical degradation is expected as a results of defects.…”

Section: Mechanical Propertiesmentioning

confidence: 99%

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Two-Dimensional Silicon Carbide: Emerging Direct Band Gap Semiconductor

Chabi

Kadel

2020

Nanomaterials

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As a direct wide bandgap semiconducting material, two-dimensional, 2D, silicon carbide has the potential to bring revolutionary advances into optoelectronic and electronic devices. It can overcome current limitations with silicon, bulk SiC, and gapless graphene. In addition to SiC, which is the most stable form of monolayer silicon carbide, other compositions, i.e., SixCy, are also predicted to be energetically favorable. Depending on the stoichiometry and bonding, monolayer SixCy may behave as a semiconductor, semimetal or topological insulator. With different Si/C ratios, the emerging 2D silicon carbide materials could attain novel electronic, optical, magnetic, mechanical, and chemical properties that go beyond those of graphene, silicene, and already discovered 2D semiconducting materials. This paper summarizes key findings in 2D SiC and provides insight into how changing the arrangement of silicon and carbon atoms in SiC will unlock incredible electronic, magnetic, and optical properties. It also highlights the significance of these properties for electronics, optoelectronics, magnetic, and energy devices. Finally, it will discuss potential synthesis approaches that can be used to grow 2D silicon carbide.

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Section: Mechanical Propertiesmentioning

confidence: 99%

“…Not only the concentration of the defect but also its type has different impacts on the mechanical properties of these materials. For instance, some studies reported that single atom vacancy can degrade the mechanical properties of 2D SiC even more than bi-vacancy defects [ 86 , 88 , 89 ].…”

Section: Mechanical Propertiesmentioning

confidence: 99%

Two-Dimensional Silicon Carbide: Emerging Direct Band Gap Semiconductor

Chabi

Kadel

2020

Nanomaterials

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“…Hence, the breakdown progression may change from a brittle to a ductile manner at extreme temperature and lead to a declined fashion in the mechanical strength. 22 , 23 In addition, along with the loading direction and system temperature, mechanical strength significantly depends on the structural defects.…”

Section: Introductionmentioning

confidence: 99%

“…From a practical standpoint, when nanomaterials are synthesized experimentally or developed from their bulk counterpart, various structural defects, such as bi vacancy (BV), point vacancy (PV), ad-atoms defect, isotope defect, stone–thrower–wales defects (SW), etc., 22 , 24 − 28 are generated, and they can lessen the mechanical strength of the nanomaterial considerably because of their strong symmetry breakdown effect. Lately, the impact of diverse defects on the mechanical strength of various nanosheets such as monolayer silicon carbide, MoS 2 , germanene, and stanene has been explored.…”

Section: Introductionmentioning

confidence: 99%

“…Lately, the impact of diverse defects on the mechanical strength of various nanosheets such as monolayer silicon carbide, MoS 2 , germanene, and stanene has been explored. 22 , 29 − 32 These reports proposed that the defected sheet ruptures at a breaking strength that is substantially lesser related to the rupture strength of the perfect ones, and increasing the density of defects can considerably lessen the fracture strength, elastic modulus, and fracture strain. In recent years, several experimental and DFT-based first-principles investigations have been performed on 2D-SiGe to explore its electronic, ferromagnetic, and thermodynamic stability, topological phase transition, hydrogenation, and gas adsorption behaviors.…”

Section: Introductionmentioning

confidence: 99%

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Temperature- and Defect-Induced Uniaxial Tensile Mechanical Behaviors and the Fracture Mechanism of Two-Dimensional Silicon Germanide

et al. 2021

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Recently, monolayer silicon germanide (SiGe), a newly explored buckled honeycomb configuration of silicon and germanium, is predicted to be a promising nanomaterial for next-generation nanoelectromechanical systems (NEMS) due to its intriguing electronic, optical, and piezoelectric properties. In the NEMS applications, the structure is subjected to uniaxial tensile mechanical loading, and the investigation of the mechanical behaviors is of fundamental importance to ensure structural stability. Here, we systematically explored the uniaxial tensile mechanical properties of 2D-SiGe through molecular dynamics simulations. The effects of temperature ranges from 300 to 1000 K and vacancy defects, for instance, point and bi vacancy, for both armchair and zigzag orientations of 2D-SiGe were investigated. In addition, the influence of system areas and strain rates on the stress–strain performance of 2D-SiGe has also been studied. With the increase in temperature and vacancy concentration, the mechanical properties of 2D-SiGe show decreasing behavior for both orientations and the armchair chirality shows superior mechanical strength to the zigzag direction due to its bonding characteristics. A phase transformation-induced second linearly elastic region was observed at large deformation strain, leading to an anomalous stress–strain behavior in the zigzag direction. At 300 K temperature, we obtained a fracture stress of ∼94.83 GPa and an elastic modulus of ∼388.7 GPa along the armchair direction, which are about ∼3.17 and ∼2.83% higher than the zigzag-oriented fracture strength and elastic modulus. Moreover, because of the strong regularity interruption effect, the point vacancy shows the largest decrease in fracture strength, elastic modulus, and fracture strain compared to the bi vacancy defects for both armchair and zigzag orientations. Area and strain rate investigations reveal that 2D-SiGe is less susceptible to the system area and strain rate. These findings provide a deep insight into controlling the tensile mechanical behavior of 2D-SiGe for its applications in next-generation NEMS and nanodevices.

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Anisotropic Mechanics of 2D Materials

Gao

Jiang

et al. 2022

Adv Eng Mater

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Anisotropic mechanics of van der Waals (vdWs) materials offers opportunity to peel off individual atomic layers, initiating a 2D revolution in the fields of materials science, physics, and chemistry. The elasticity, bending, and fracture strength of most of their 2D derivatives are also orientation‐dependent, which not only determines the reliability of devices based on 2D materials but also offers a vast playground for atomic manufacturing with tunable functions. Therefore, a comprehensive understanding of the anisotropic mechanical properties of 2D materials is imminent. In this review, the anisotropic mechanical properties of 2D materials are summarized in attempt to capture the current progress in this field, as well as the route toward their applications. Following a brief discussion of the anisotropic lattice structures of 2D materials, unique experimental methodologies that have been developed to characterize their anisotropic mechanics are discussed. Then, the review pivots on recent processes in anisotropic elastic, fracture, friction, and bending properties of 2D materials. Unique applications of these anisotropic properties, such as mechanical fabrication of atomic precision, as well as anisotropic strain‐induced piezoelectric and band modulation, are further highlighted. Finally, besides emphasizing the need for breakthrough in anisotropic mechanics, prospects for the developments of this field are suggested.

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Anisotropic mechanical behavior of two dimensional silicon carbide: effect of temperature and vacancy defects

Cited by 38 publications

References 61 publications

Two-Dimensional Silicon Carbide: Emerging Direct Band Gap Semiconductor

Two-Dimensional Silicon Carbide: Emerging Direct Band Gap Semiconductor

Temperature- and Defect-Induced Uniaxial Tensile Mechanical Behaviors and the Fracture Mechanism of Two-Dimensional Silicon Germanide

Anisotropic Mechanics of 2D Materials

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