Journal
PHYSICA B-CONDENSED MATTER
Volume 530, Issue -, Pages 133-141Publisher
ELSEVIER
DOI: 10.1016/j.physb.2017.11.021
Keywords
First principle; Eu doped ZnO; Room temperature ferromagnetism; Absorption spectrum
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Funding
- National Natural Science Foundation of China [61366008, 61664007]
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We calculated the electronic structure and optical properties of Eu mono-doped ZnO systems with or without O vacancy. We also determined the relative energy of ferromagnetic and antiferromagnetic orders of Eu-double-doped ZnO systems. The double-doped systems possess high Curie temperature and achieve room temperature ferromagnetism. The magnetism in the Eu mono-doped system without O vacancy is caused by the -Eu3+-O2--Eu3+- bound magnetopolaron (BMP) model. The magnetism of Eu mono-doped ZnO systems with O vacancy is more stable than that without O vacancy, and such magnetism is attributed to the -Eu3+-V-O(++)-Eu3+-BMP model. The absorption spectrum for mono-doped systems is red shifted, and this finding confirms that Eu-mono-doped ZnO is a candidate photocatalyst for various applications. Therefore, Eu-double-doped ZnO can be practically used as an unambiguous diluted magnetic semiconductor.
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