| CONDENSED MATTER: STRUCTURE, MECHANICAL AND THERMAL PROPERTIES |
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Superior Mechanical Properties of GaAs Driven by Lattice Nanotwinning |
| Zhenjiang Han1, Han Liu1, Quan Li1, Dan Zhou1,2*, and Jian Lv1* |
1International Center for Computational Physics Method and Software, State Key Laboratory of Superhard Materials, Key Laboratory of Automobile Materials of MOE, and Department of Materials Science, Jilin University, Changchun 130012, China
2School of Science, Changchun University of Science and Technology, Changchun 130022, China
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| Cite this article: |
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Zhenjiang Han, Han Liu, Quan Li et al 2021 Chin. Phys. Lett. 38 046201 |
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Abstract Gallium arsenide (GaAs), a typical covalent semiconductor, is widely used in the electronic industry, owing to its superior electron transport properties. However, its brittle nature is a drawback that has so far significantly limited its application. An exploration of the structural deformation modes of GaAs under large strain at the atomic level, and the formulation of strategies to enhance its mechanical properties is highly desirable. The stress-strain relations and deformation modes of single-crystal and nanotwinned GaAs under various loading conditions are systematically investigated, using first-principles calculations. Our results show that the ideal strengths of nanotwinned GaAs are 14% and 15% higher than that of single-crystal GaAs under pure and indentation shear strains, respectively, without producing a significantly negative effect in terms of its electronic performance. The enhancement in strength stems from the rearrangement of directional covalent bonds at the twin boundary. Our results offer a fundamental understanding of the mechanical properties of single crystal GaAs, and provide insights into the strengthening mechanism of nanotwinned GaAs, which could prove highly beneficial in terms of developing reliable electronic devices.
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Received: 11 January 2021
Published: 06 April 2021
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| PACS: |
62.20.-x
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(Mechanical properties of solids)
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71.20.-b
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(Electron density of states and band structure of crystalline solids)
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61.50.Ah
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(Theory of crystal structure, crystal symmetry; calculations and modeling)
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81.40.Jj
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(Elasticity and anelasticity, stress-strain relations)
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| Fund: Supported by the National Key Research and Development Program of China (Grant No. 2018YFA0703400), the National Natural Science Foundation of China (Grant Nos. 11704044 and 11974134), the Jilin Province Outstanding Young Talents Project (Grant No. 20190103040JH), and the China Postdoctoral Science Foundation (Grant No. 2018M631870). |
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