Magnetism induced by nonmagnetic dopant in Li2O, Na2O, K2O and Rb2O: first-principles calculations

First-principles calculations based on the tight-binding linear muffin-tin orbital (TB-LMTO) method are performed to investigate the occurrence of spin polarization in the alkali-metal oxides (M 2 O) [M: Li, Na, K, Rb] in antifluorite (anti-CaF 2 -type) structure with non-magnetic sp (F, Cl, Br and...

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