Enhancing magnetic vacancies in semiconductors by strain
Date of Issue2012
School of Materials Science and Engineering
Although cation-vacancies can induce localized magnetic moments in semiconductors, the collective magnetism is impeded by low vacancy concentration. To improve the vacancy concentration, we study the effect of external hydrostatic strain on the vacancy formation energy. Our first-principles calculations discover that vacancy formation energy is significantly reduced in ionic semiconductors with the monotonic volume contraction, while only slightly decreased in covalent semiconductors. Especially for ZnO, the equilibrium concentration of cation-vacancies has been improved by 109 times. We predicted that strain can be used to produce “d0 magnetism” in ionic semiconductors much easier in experiments.
Applied Physics Letters
© 2012 American Institute of Physics. This paper was published in Applied Physics Letters and is made available as an electronic reprint (preprint) with permission of American Institute of Physics. The paper can be found at the following official DOI: [http://dx.doi.org/10.1063/1.3685488]. One print or electronic copy may be made for personal use only. Systematic or multiple reproduction, distribution to multiple locations via electronic or other means, duplication of any material in this paper for a fee or for commercial purposes, or modification of the content of the paper is prohibited and is subject to penalties under law.