Intrinsic magnetism in nanosheets of SnO2: A first-principles study

• Published in: Journal of magnetism and magnetic materials Vol. 328; pp. 104 - 108
• Main Authors: Rahman, Gul, García-Suárez, Víctor M., Morbec, J.M.
• Format: Journal Article
• Language: English
• Published: Amsterdam Elsevier B.V 01.02.2013; Elsevier
• Subjects: Condensed matter: electronic structure, electrical, magnetic, and optical properties; Defects; Exact sciences and technology; First-principle; Magnetic properties and materials; Magnetic properties of nanostructures; Magnetism; Nanocomposites; Nanomaterials; Nanosheet; Nanostructure; Physics; SnO2; Tin dioxide; Tin oxides; Vacancies; SnO2; Magnetism; First-principle; Nanosheet; Nanoplate; Vacancies; Doping; Spin density; Electronic density of states; SnO; Tin oxide; Density functional method; Heat of formation; Defect formation
• ISSN: 0304-8853
• DOI: 10.1016/j.jmmm.2012.10.017

We propose intrinsic magnetism in nanosheets of SnO2, 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. SnO2 nanosheets can, therefore, open new opportunities in the field of spintronics. ► Sn vacancy in nanosheets can induce magnetism. ► SnO2 nanosheets have lower defect formation energy than the bulk SnO2. ► It is easier to create vacancies at the surface of the sheets. ► Our results agree with the recent experimental work.