Third-generation CALPHAD description of pure GeO2 at 1 atm |
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| Abstract: | The thermodynamic properties of crystalline and liquid/amorphous phases of germanium dioxide have been evaluated using DFT calculations and third-generation CALPHAD models. The values for the standard entropies of crystalline and amorphous phases were reassessed through use of the Planck-Einstein approach. This allowed a more physically-based representation of the set of thermodynamic properties of germanium dioxide to be obtained. |
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| Keywords: | Germanium dioxide DFT Two state liquid model Extended einstein model Heat capacity |
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