@article{fu:hal-01481100,
TITLE = {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},
AUTHOR = {Fu, Jia and Bernard, Fabrice and Kamali-Bernard, Siham},
URL = {https://univ-rennes.hal.science/hal-01481100},
JOURNAL = {Journal of Physics and Chemistry of Solids},
PUBLISHER = {Elsevier},
VOLUME = {101},
PAGES = {74--89},
YEAR = {2017},
DOI = {10.1016/j.jpcs.2016.10.010},
KEYWORDS = {alkaline-earth oxides ; hartree-fock calculations ; equation-of-state ; high-pressure ; elastic-constants ; single-crystal ; ab-initio ; brillouin spectroscopy ; computer-simulation ; neutron-diffraction},
HAL_ID = {hal-01481100},
HAL_VERSION = {v1},
}