Magnetic, electronic and mechanical properties of SeXO3 (X = Mn, Ni) with the LSDA + U framework
Sign Up to like & getrecommendations! 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,… read more here.
Keywords: electronic mechanical; sexo3 lsda; mechanical properties; properties sexo3 ... See more keywords