Magnetism in C or N-doped MgO and ZnO: density-functional study of impurity pairs

Abstract

It is shown that substitution of C or N for O recently proposed as a way to create ferromagnetism in otherwise nonmagnetic oxide insulators is curtailed by formation of impurity pairs, and the resultant C2 spin=1 dimers as well as the isoelectronic N2^{2+} interact antiferromagneticallly in p-type MgO. For C-doped ZnO, however, we demonstrate using the HSE hybrid functional that a resonance of the spin-polarized C2 ppπ* states with the host conduction band results in a long-range ferromagnetic interaction. Magnetism of open-shell impurity molecules is proposed as a possible route to d0-ferromagnetism in oxide spintronic materials.

arXiv comment4 pages, 4 figures, PRL in press

References in corpus (8)

• Carbon-doped ZnO: A New Class of Room Temperature Dilute Magnetic Semiconductor
• Ferromagnetism in 2p Light Element-Doped II-oxide and III-nitride Semiconductors
• Model for vacancy-induced d${}^0$ ferromagnetism in oxide compounds
• Room temperature ferromagnetism in carbon-implanted ZnO
• Unraveling the Jahn-Teller effect in Mn doped GaN using the Heyd-Scuseria-Ernzerhof hybrid functional
• Magnetism from $2p$ States in Alkaline Earth Monoxides: Trends with Varying N Impurity Concentration
• Electron doping and magnetic moment formation in N- and C-doped MgO
• Ferromagnetism in Nitrogen-doped MgO

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