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
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.
(Elasticity and anelasticity, stress-strain relations)
引用本文:
. [J]. 中国物理快报, 2021, 38(4): 46201-.
Zhenjiang Han, Han Liu, Quan Li, Dan Zhou, and Jian Lv. Superior Mechanical Properties of GaAs Driven by Lattice Nanotwinning. Chin. Phys. Lett., 2021, 38(4): 46201-.
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2021, Vol. 38 
