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- W2521624348 abstract "First-principles calculations have been used to comparatively investigate electronic and magnetic properties of nitrogen-doped (N-doped) nonmagnetic semiconductor perovskite-type stannate (MSnO 3 , M = Ca, Sr, Ba). A total magnetic moment of 1.0 [Formula: see text] induced by N is found in MSnO 3 supercell with one N dopant. The spontaneous polarization mainly originates from spin splitting on [Formula: see text] state of N. The medium-sized formation energy shows that the N-doped MSnO 3 can be realized experimentally under the metal-rich environments, but the clustering tendency and short-range coupling imply that the stannate matrices are unsuitable for magnetizing by substituting N for O. Our study offers a fresh sight of spontaneous spin polarization in [Formula: see text] magnetism. The FM coupling in N-doped MSnO 3 should be attributed to the hole-mediated [Formula: see text]–[Formula: see text] coupling mechanism." @default.
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- W2521624348 date "2016-12-14" @default.
- W2521624348 modified "2023-09-28" @default.
- W2521624348 title "Nitrogen-induced magnetism in stannates from first-principles calculations" @default.
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- W2521624348 doi "https://doi.org/10.1142/s0217979216502362" @default.
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