First-principles calculations of typical anisotropic cubic and hexagonal structures and homogenized moduli estimation based on the Y-parameter: Application to CaO, MgO, CH and Calcite CaCO3 - Archive ouverte HAL Access content directly
Journal Articles Journal of Physics and Chemistry of Solids Year : 2017

First-principles calculations of typical anisotropic cubic and hexagonal structures and homogenized moduli estimation based on the Y-parameter: Application to CaO, MgO, CH and Calcite CaCO3

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hal-01481100 , version 1 (02-03-2017)

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Jia Fu, Fabrice Bernard, Siham Kamali-Bernard. First-principles calculations of typical anisotropic cubic and hexagonal structures and homogenized moduli estimation based on the Y-parameter: Application to CaO, MgO, CH and Calcite CaCO3. Journal of Physics and Chemistry of Solids, 2017, 101, pp.74--89. ⟨10.1016/j.jpcs.2016.10.010⟩. ⟨hal-01481100⟩
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