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- W2972160868 abstract "The discovery of two-dimensional (2D) Ga2O3 has provided an efficient way to design high performance Ga2O3 devices. Here, mechanical and thermodynamic properties of 2D Ga2O3 are important parameters in device design but very few studies are investigated by density functional theory. Results show that 2D Ga2O3 retains the monoclinic character with thirteen independent elastic constants which meet with the mechanical stability criteria, and irrespective of its thickness. Interestingly, although the elastic constant C11 is lower than C22 and C33, 2D Ga2O3 may be harder to be compressed along the a direction. Meanwhile, the elastic constant C44 is larger than C55 and C66, in contrast to that of bulk β-Ga2O3. Upon decreasing the thickness of 2D Ga2O3, the elastic properties continue reduce and lower than those of 2D layered materials, but their compressive anisotropic properties are enhanced and larger than those of bulk β-Ga2O3. The thermal conductivity and capacity of monolayer Ga2O3 are enhanced to 0.49 W∙cm−1∙K−1, and 27.58 J∙mol−1∙K−1, respectively. Such variations of bulk-transition-2D Ga2O3 are opposite to those of bulk-transition-2D GaN due to the recombined orbitals of GaN. These results are crucial to the device design based on 2D Ga2O3." @default.
- W2972160868 created "2019-09-12" @default.
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- W2972160868 date "2019-12-01" @default.
- W2972160868 modified "2023-10-14" @default.
- W2972160868 title "Mechanical and thermodynamic properties of two-dimensional monoclinic Ga2O3" @default.
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- W2972160868 doi "https://doi.org/10.1016/j.matdes.2019.108197" @default.
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