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Electronic Structure And Bonding Properties Of Cobalt Oxide In The Spinel Structure

PHYSICAL REVIEW B, no. 24 (2011)

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magnetic semiconductorelectronic structureband gapdensity function theorymagnetic momentMore(1+)

Abstract

The spinel cobalt oxide Co3O4 is a magnetic semiconductor containing cobalt ions in Co2+ and Co3+ oxidation states. We have studied the electronic, magnetic, and bonding properties of Co3O4 using density functional theory (DFT) at the Generalized Gradient Approximation (GGA), GGA + U, and PBE0 hybrid functional levels. The GGA correctly p...More

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jia chen

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xifan wu

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annabella selloni

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