期刊
MECHANICS OF MATERIALS
卷 64, 期 -, 页码 135-141出版社
ELSEVIER
DOI: 10.1016/j.mechmat.2013.05.009
关键词
Mechanical properties; High order elastic constants; Density functional theory; 2D materials; Honeycomb structure; g-GeC
资金
- Defense Threat Reduction Agency (DTRA) Grant [BRBAA08-C-2-0130, HDTRA1-13-1-0025]
- U.S. Nuclear Regulatory Commission Faculty Development Program Grant [NRC-38-08-950]
- U.S. Department of Energy (DOE) Nuclear Energy University Program (NEUP) Grant [DE-NE0000325]
We investigate the mechanical properties of graphene-like hexagonal germanium carbide monolayers (g-GeC) using first-principles calculations based on density-functional theory. Compared to graphene, g-GeC is much softer, with 41% in-plane stiffness, 44%, 42% and 37% ultimate strengths in armchair, zigzag, and biaxial strains respectively, as well as smaller ultimate strains. However, g-GeC has a larger Poisson's ratio, 0.28, about 1.5 times that of graphene. We obtained the second, third, fourth, and fifth order elastic constants for a rigorous continuum description of the elastic response of g-GeC. The second order elastic constants, including in-plane stiffness, are predicted to monotonically increase with pressure while the Poisson's ratio monotonically decreases with increasing pressure. The sound velocity of a compressional wave has a minima at an in-plane pressure of -7 GPa while that of a shear wave monotonically with pressure. (C) 2013 Elsevier Ltd. All rights reserved.
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