Article ID Journal Published Year Pages File Type
5385380 Chemical Physics Letters 2010 7 Pages PDF
Abstract
Electronic and magnetic properties of carbon-, sulfur-, and non-doped ZnO clusters are investigated using DFT. It is found that in the case of non-doped systems a planar graphitic-like reconstruction is necessary for the observation of a magnetic moment; carbon impurities could promote ferromagnetism; and sulfur impurities at the surface of ZnO nanoparticles hamper any magnetic state.
Related Topics
Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
Authors
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