Site-selective electronic structure of pure and doped Ca2 O3 Fe3 S2
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DOI: 10.1103/physrevb.98.045130
Abstract: Using density functional dynamical mean-field theory we investigate the site-selective electronic structure of Ca2O3Fe3S2. We confirm that the parent compound with two distinct iron sites is a multi-orbital Mott insulator similar to La2O3Fe2S2. Electron/hole doping,… read more here.
Keywords: structure pure; site selective; electronic structure; selective electronic ... See more keywords