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arxiv: 1210.3533 · v1 · pith:CHCMRPLJnew · submitted 2012-10-11 · ❄️ cond-mat.mtrl-sci

Intrinsic Magnetism in Nanosheets of SnO₂: A First-principles Study

classification ❄️ cond-mat.mtrl-sci
keywords nanosheetsmagnetismvacanciesfirst-principlesintrinsicthereforeatomsbelieve
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We propose intrinsic magnetism in nanosheets of SnO$_{2}$, based on first-principles calculations. The electronic structure and spin density reveal that $p$ orbitals of the oxygen atoms, surrounding Sn vacancies, have a non itinerant nature which gives birth to localized magnetism. A giant decrease in defect formation energies of Sn vacancies in nanosheets is observed. We, therefore, believe that native defects can be stabilized without any chemical doping. Nanosheets of different thicknesses are also studied, and it is found that it is easier to create vacancies, which are magnetic, at the surface of the sheets. SnO$_{2}$ nanosheets can, therefore, open new opportunities in the field of spintronics.

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