First principles calculation of elastic properties of AlMgB14
We have calculated the electronic structure and elastic properties of AlMgB14 for which, with
small chemical modification, ultra hardness was reported recently. The calculated density of
states and elastic constants are presented. Additionally, we have calculated the elastic
anisotropy and elastic wave velocity. Together with the measured hardness, the calculated
shear modulus is consistent with the empirical proportionality observed between shear
moduli and microhardness.
small chemical modification, ultra hardness was reported recently. The calculated density of
states and elastic constants are presented. Additionally, we have calculated the elastic
anisotropy and elastic wave velocity. Together with the measured hardness, the calculated
shear modulus is consistent with the empirical proportionality observed between shear
moduli and microhardness.
We have calculated the electronic structure and elastic properties of AlMgB14 for which, with small chemical modification, ultra hardness was reported recently. The calculated density of states and elastic constants are presented. Additionally, we have calculated the elastic anisotropy and elastic wave velocity. Together with the measured hardness, the calculated shear modulus is consistent with the empirical proportionality observed between shear moduli and microhardness.
Elsevier
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