most citedFirst-principles insights into f magnetism, a case study on some magnetic pyrochlores

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cond-mat.mtrl-sci2021★ 7 cited

Identification of the Nitrogen Interstitial as Origin of the 3.1 eV Photoluminescence Band in Hexagonal Boron Nitride

E. Khorasani, T. Frauenheim, B. Aradi +1

Nitrogen interstitials (N) have the lowest formation energy among intrinsic defects of hexagonal boron nitride (hBN) under n-type and N-rich conditions. Using an optim…