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中国物理学会期刊

硼/氮原子共注入金刚石的原子级研究

CSTR: 32037.14.aps.56.395

Atomic-scale study of boron-nitrogen co-doping into diamond

CSTR: 32037.14.aps.56.395
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  • 利用Tersoff势和分子动力学方法研究了室温下500 eV的能量粒子硼(4个)和氮(8个)共注入金刚石晶体中晶体结构的变化特征和缺陷分布特征.结果表明:粒子注入金刚石后产生的空位比间隙原子更靠近晶体的近表层分布;间隙原子主要以四面体间隙(T形)和哑铃状分裂间隙的形式存在于晶体中,T形间隙结构更容易存在,并且大部分间隙原子富集在空位的周围;注入金刚石中的硼原子和氮原子有78%左右处于替代位置,硼、氮原子之间的键长比完整金刚石结构的键长短13%,硼氮原子成键有利于减少金刚石晶格的畸变程度.

     

    The structure and lattice damage induced by four boron (B) atoms and eight nitrogen (N) atoms with the energy of 500 eV co-doped into diamond films at room temperature are investigated by molecular dynamics simulation based on Tersoff empirical potential. The results show that the distribution of most of vacancies is nearer to the surface than the interstitials. Interstitials arrange in diamond in tetrahedral type (T-type) configuration or dumbbell type (D-type) configuration. Percentage of boron atoms and nitrogen atoms located in substitutional positions are found to be around 78%. The B-N bond length is shorter than C-C bond length in diamond by 13%. B-N bonding helps to reduce the lattice distortion in diamond.

     

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