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Defect driven spin state transition and the existence of half-metallicity in CoO.

07:00 EST 9th January 2019 | BioPortfolio

Summary of "Defect driven spin state transition and the existence of half-metallicity in CoO."

We unveil the native defect induced high spin (HS) to low spin (LS) state transition in $\mathrm{Co^{+3}}$ and half-metallicity in CoO. First principles calculation unravel that, defect density holds a key role in dictating the spin-state transition in $\mathrm{Co^{+3}}$ ion in CoO, and introducing the half-metallicity. Charge transfer in the vicinity of vacancy plane favors the stabilization and coexistence of bivalent $\mathrm{Co^{+2}}$ and trivalent $\mathrm{Co^{+3}}$ ion in CoO. We propose that, defect engineering could serve as a route to design the half metallicity in transition metal mono-oxides.

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This article was published in the following journal.

Name: Journal of physics. Condensed matter : an Institute of Physics journal
ISSN: 1361-648X
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