☆ 4.4 Article

Electronic structure and magnetism of EuX (X = O, S, Se and Te): A first-principles investigation

EPL (2008)

期刊

EPL

卷 83, 期 6, 页码 -

出版社

EPL ASSOCIATION, EUROPEAN PHYSICAL SOCIETY

DOI: 10.1209/0295-5075/83/69001

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类别

Physics, Multidisciplinary

资金

Qianjiang Talent Project of Zhejiang Province [2007R10028]
State Key Laboratory of High Performance Ceramics and Superfine Microstructure [SKL200805SIC]
Natural Science Foundation of Zhejiang Province [Y407188]

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摘要

Electronic structures and magnetic properties of EuX ( X = O, S, Se and Te) are investigated by the plane-wave pseudopotential method with explicit account for Coulomb repulsion within the 4f shell, and compared with other theoretical and experimental results. All the EuX compounds are magnetic semiconductors with noticeable indirect Gamma-X gap. Ferromagnetic ordering is observed for EuO and EuS while antiferromagnetic ordering along [111] is the ground state for EuSe and EuTe. These results are consistent with the experiments, although previous calculations indicated that the ground state of EuS is antiferromagnetic. The exchange parameters are calculated, and are in fair agreement with experimental results. Copyright (C) EPLA, 2008

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