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- W1995890383 abstract "Shell model molecular dynamic simulation with interatomic pair potential is utilized to investigate the elastic and thermodynamic properties of gallium nitride with hexagonal wurtzite structure (w-GaN) at high pressure. The calculated elastic constants Cij at zero pressure and 300 K agree well with the experimental data and other calculated values. Meanwhile, the dependences of the relative volume V/V0, elastic constants Cij, entropy S, enthalpy H, and heat capacities CV and CP on pressure are successfully obtained. From the elastic constants obtained, we also calculate the shear modulus G, bulk modulus B, Young's modulus E, Poisson's ratio v, Debye temperature D, and shear anisotropic factor Ashear on pressures." @default.
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- W1995890383 date "2008-12-01" @default.
- W1995890383 modified "2023-09-23" @default.
- W1995890383 title "Shell Model for Elastic and Thermodynamic Properties of Gallium Nitride with Hexagonal Wurtzite Structure" @default.
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- W1995890383 doi "https://doi.org/10.1088/0253-6102/50/6/40" @default.
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