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Mechanism of multi-defect induced ferromagnetism in undoped rutile TiO_2

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摘要

Based on first-principles calculations, the coexistence of Ti vacancies (V_(Ti)) and O vacancies (V_O) is first considered to study the origin of the ferromagnetic ordering in undoped rutile TiO_2. The calculations show that V_O can induce local magnetic moments in TiO_2, however, the ferromagnetic (FM) exchange interaction of two V_O is not strong enough to induce room-temperature (RT) ferromagnetism on their own in undoped TiO_2. The FM coupling between two V_(Ti) is about four times stronger than that between two V_O. More importantly, the FM coupling between two V_(Ti) is further enhanced after V_O is introduced. Our results indicate that the electrons induced by V_O mediate the long-range FM exchange interaction between two distant V_(Ti). This maybe the ferromagnetism mechanism in undoped TiO_2: V_(Ti) produce local moments while the electrons induced by V_O mediated the long-range FM exchange interaction. The results are in excellent agreement with the experimental evidences that V_O alone cannot induce RT ferromagnetism while V_O can promote the ferromagnetic ordering in undoped TiO_2.

著录项

  • 来源
    《Journal of Applied Physics》 |2014年第23期|233909-1-233909-5|共5页
  • 作者单位

    College of Mathematics, Physics and Information Science, Zhejiang Ocean University, Zhoushan 316000, People's Republic of China;

    State Key Laboratory of Superhard Materials and Department of Physics, Jilin University, Changchun 130012, People's Republic of China;

  • 收录信息 美国《科学引文索引》(SCI);美国《工程索引》(EI);美国《生物学医学文摘》(MEDLINE);
  • 原文格式 PDF
  • 正文语种 英语
  • 中图分类 应用物理学;
  • 关键词

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