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• W2070086238 abstract "First-principles calculations are performed to study the structural, electronic and magnetic properties of Co-doped SnO2 nanosheets (NSs), using the generalized gradient approximation (GGA) plus Hubbard U method. We find that two Co atoms have a clustering tendency and the magnetic interactions between them exhibit a ferromagnetic (FM) coupling, while the appearance of an oxygen vacancy (VO) turns it into an antiferromagnetic (AFM) order. When the Li atom is codoped into Co-doped SnO2NS, the interactions between Co atoms are rehabilitated to FM coupling with a high Curie temperature (TC) of 850 K. The electronic structure analysis reveals that this is mainly attributed to the hole-induced double-exchange mechanism from s–d hybridizations between Li and Co, which finally activates a long-range FM coupling between two Co atoms. These findings could be very useful in nano-material design for spintronics." @default.
• W2070086238 created "2016-06-24" @default.
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• W2070086238 date "2014-01-01" @default.
• W2070086238 modified "2023-09-25" @default.
• W2070086238 title "Design of ferromagnetism in Co-doped SnO2 nanosheets: a first-principles study" @default.
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• W2070086238 doi "https://doi.org/10.1039/c3ra46325g" @default.
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