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Interstitial silicon ions in rutile TiO_2 crystals

机译：金红石型TiO_2晶体中的间隙硅离子

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摘要

Electron paramagnetic resonance (EPR) is used to identify a new and unique photoactive silicon-related point defect in single crystals of rutile TiO_2. The importance of this defect lies in its assignment to interstitial silicon ions and the unexpected establishment of silicon impurities as a major hole trap in TiO_2. Principal g values of this new S = 1/2 center are 1.9159, 1.9377, and 1.9668 with principal axes along the [110], [001], and [110] directions, respectively. Hyperfine structure in the EPR spectrum shows the unpaired spin interacting equally with two Ti nuclei and unequally with two Si nuclei. These silicon ions are present in the TiO_2 crystals as unintentional impurities. Principal values for the larger of the two Si hyperfine interactions are 91.4, 95.4, and 316.4 MHz with principal axes also along the [110], [001], and [110] directions. The model for the defect consists of two adjacent Si ions, one at a tetrahedral interstitial site and the other occupying a Ti site. Together, they form a neutral nonparamagnetic [Si_(int), - Si_(Ti)]~0 complex. When a crystal is illuminated below 40 K with 442-nm laser light, holes are trapped by these silicon complexes and form paramagnetic [Si_(int), - Si_(Ti)]~+ defects, while electrons are trapped at oxygen vacancies. Thermal anneal results show that the [Si_(int), - Si_(Ti)]~+ EPR signal disappears in two steps, coinciding with the release of electrons from neutral oxygen vacancies and singly ionized oxygen vacancies. These released electrons recombine with the holes trapped at the silicon complexes.
机译：电子顺磁共振（EPR）用于识别金红石TiO_2单晶中新的和独特的与光敏硅有关的点缺陷。此缺陷的重要性在于将其分配给间隙性硅离子，并意外地将硅杂质确定为TiO_2中的主要空穴陷阱。这个新的S = 1/2中心的主g值为1.9159、1.9377和1.9668，主轴分别沿[110]，[001]和[110]方向。 EPR谱中的超精细结构显示未成对的自旋与两个Ti核均等相互作用，并且与两个Si核不均等相互作用。这些硅离子作为意外杂质存在于TiO_2晶体中。两个Si超精细相互作用中较大者的主值为91.4、95.4和316.4 MHz，主轴也沿[110]，[001]和[110]方向。缺陷模型由两个相邻的Si离子组成，一个在四面体间隙位置，另一个在Ti位置。它们一起形成中性的非顺磁性[Si_（int），-Si_（Ti）]〜0络合物。当用442 nm激光在40 K以下照射晶体时，空穴被这些硅络合物捕获并形成顺磁性[Si_（int），-Si_（Ti）]〜+缺陷，而电子被捕获在氧空位处。热退火结果表明，[Si_（int），-Si_（Ti）]〜+ EPR信号分两步消失，这与中性氧空位和单个电离氧空位的释放有关。这些释放的电子与陷在硅络合物上的空穴复合。

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  • 来源
    《Physical review》 |2015年第13期|134110.1-134110.7|共7页
  • 作者

    E. M. Golden; N. C. Giles; Shan Yang; L. E. Halliburton;

  • 作者单位

    Department of Engineering Physics, Air Force Institute of Technology, Wright-Patterson Air Force Base, Ohio 45433, USA;

    Department of Engineering Physics, Air Force Institute of Technology, Wright-Patterson Air Force Base, Ohio 45433, USA;

    Department of Physics, Atmospheric Sciences, and Geoscience, Jackson State University, Jackson, Mississippi 39217, USA;

    Department of Physics and Astronomy, West Virginia University, Morgantown, West Virginia 26506, USA;

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  • 正文语种 eng
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  • 关键词

    ions and impurities: general;

    机译：离子和杂质：一般;

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