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Defect Driven Magnetism In Doped Sno2 Nanoparticles: Surface Effects, Pushpa Raghani, Pankaj Kumar, Balaji Ramanujam, Alex Punnoose

Physics Faculty Publications and Presentations

Magnetism and energetics of intrinsic and extrinsic defects and defect clusters in bulk and surfaces of SnO₂ is investigated using first-principles to understand the role of surfaces in inducing magnetism in Zn doped nanoparticles. We find that Sn vacancies induce the largest magnetic moment in bulk and on surfaces. However, they have very large formation energies in bulk as well as on surfaces. Oxygen vacancies on the other hand are much easier to create than V_Sn, but neutral and V_O⁺² vacancies do not induce any magnetism in bulk as well as on surfaces. V_{O …}