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首页> 外文期刊>Journal of Applied Physics >Intrinsic defects in yttrium iron garnet: A first-principles study
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Intrinsic defects in yttrium iron garnet: A first-principles study

机译：钇铁石榴石内部缺陷：一项第一原则研究

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摘要

The formation of various intrinsic point defects in Y_3Fe_5O_(12) and their effect on the magnetic performance were studied using density functional theory. The formation of vacancies and interstitial defects shows great dependence on the chemical potential, whereas antisite and Frenkel defects show less dependence on the chemical potential. The oxygen vacancy (V_O) and Fe vacancy (V_(Fe)), and the oxygen interstitial (I_o). Fe interstitial (I_(Fe)), and antisite defects (Fe_Y, Y_(Fe)~(Oct), and Y_(Fe)~(Tetra)) show relatively low formation energies, which may be the common intrinsic defects in Y_3Fe_5O_(12). The presence of V_O and the Frenkel defect of Fe in YIG does not affect the magnetic moment. The presence of V_(Fe)~(Oct) and Y_(Fe)~(Oct) results in an increase in the magnetic moment, and the presence of V_(Fe)~(Tetra) and Y_(Fe)~(Tetra) results in a decrease in the magnetic moment. Fe_Y and I_(Fe) cause an increase in the magnetic moment.
机译：使用密度函数理论研究了Y_3FE_5O_（12）中各种固有点缺陷的形成及其对磁性性能的影响。空位和间质缺陷的形成表现出对化学潜力的巨大依赖性，而防腐和弗雷塞缺陷表明对化学潜力的依赖性较少。氧空位（V_O）和Fe空位（V_（Fe））和氧气间质（I_O）。 Fe Intertitial（I_（FE））和反筋缺陷（FE_Y，Y_（FE）〜（OCT）和Y_（FE）〜（TETRA））显示相对较低的形成能量，这可能是Y_3FE_5O_中的常见内在缺陷（ 12）。 YIG中Fe的V_O和FRENKEL缺陷不会影响磁矩。 V_（Fe）〜（OCT）和Y_（Fe）〜（OCT）的存在导致磁矩的增加，并且V_（Fe）〜（Tetra）和Y_（Fe）〜（Tetra）的存在导致磁矩的减少。 fe_y和i_（fe）导致磁矩增加。

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  • 来源
    《Journal of Applied Physics》 |2020年第18期|183904.1-183904.10|共10页
  • 作者

    Shi Jie Tan; Wei Zhang; Lu Yang; Jinsong Chen; Zhiguo Wang;

  • 作者单位

    School of Information and Software Engineering University of Electronic Science and Technology of China Chengdu 610054 People's Republic of China Southwest Institute of Applied Magnetics No. 268 North Binhe Road Mianyang 621000 People's Republic of China;

    Southwest Institute of Applied Magnetics No. 268 North Binhe Road Mianyang 621000 People's Republic of China;

    Southwest Institute of Applied Magnetics No. 268 North Binhe Road Mianyang 621000 People's Republic of China;

    Southwest Institute of Applied Magnetics No. 268 North Binhe Road Mianyang 621000 People's Republic of China;

    School of Information and Software Engineering University of Electronic Science and Technology of China Chengdu 610054 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);
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