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Juan Ren, Hong Zhang and Xinlu Cheng Electronic and magnetic properties of all 3d transition-metal-doped ZnO monolayers International Journal of Quantum Chemistry 113

Version of Record online: 29 MAR 2013 | DOI: 10.1002/qua.24442

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Doping is often used to tune the physical properties of semiconductor materials. The effect of substitutionally doping 3d transition metal (TM) atoms into zinc oxide (ZnO) monolayers is studied theoretically. While doping with Cr, Mn, Fe, Co, Ni, and Cu is seen to induce magnetization, no such effect is observed in the cases of Sc, Ti, and V. The results are expected to help in the design of spintronic devices based on ZnO.

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