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Published in 2019 at "Computational Materials Science"
DOI: 10.1016/j.commatsci.2019.109114
Abstract: Abstract The electronic and magnetic structures of CaAFe4As4 where A = K, Rb, Cs (denoted as Ca-1144) were investigated through the full-potential augmented plane wave method and the generalized gradient approximation. The Self-consistent Field calculations for several…
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Keywords:
initio study;
structure properties;
structure;
study electronic ... See more keywords