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Published in 2017 at "Physical Review B"
DOI: 10.1103/physrevb.96.245128
Abstract: NaFe$_{0.5}$Cu$_{0.5}$As represents a rare exception in the metallic iron pnictide family, in which a small insulating gap is opened. Based on first-principles study, we provide a comprehensive theoretical characterization of this insulating compound. The Fe$^{3+}…
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Keywords:
iron pnictide;
dynamics insulating;
electronic spin;
iron ... See more keywords