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Published in 2021 at "Journal of Alloys and Compounds"
DOI: 10.1016/j.jallcom.2020.156674
Abstract: Abstract We have investigated the influence of the Hubbard (effective) U correction parameter on the structural, local magnetic moment, electronic, mechanical and elastic anisotropy properties of SeXO3 compounds from the first-principles computations. The equilibrium volumes,…
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Keywords:
electronic mechanical;
sexo3 lsda;
mechanical properties;
properties sexo3 ... See more keywords