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Local atomic order of the amorphous TaOx thin films in relation to their chemical resistivity

机译：无定形Taox薄膜的局部原子序与其化学电阻率相关

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摘要

The experimental and theoretical studies of the local atomic order and chemical binding in tantalum oxide amorphous films are presented. The experimental studies were performed on thin films deposited at the temperature of 100 degrees C by atomic layer deposition on silicon (100) and glass substrates. Thin films of amorphous tantalum oxide are known to exhibit an extremely large extent of oxygen nonstoichiometry. Performed X-ray absorption and photoelectron studies indicated the oxygen over-stoichiometric composition in the considered films. Surplus oxygen atoms have 1s electron level with binding energy about 1 eV higher than these in reference Ta2O5 oxide. The density functional theory was applied to find the possible location of additional oxygen atoms. Performed calculation indicated that additional atoms may form the dumbbell defects, which accumulate the dangling oxygen bonds in orthorhombic structure and lead to increase of oxygen 1s level binding energy. The presence of this kind of oxygen-oxygen bonding may be responsible for increase of amorphous film chemical resistivity which is very important in many applications.
机译：介绍了含钽氧化物非晶膜中局部原子阶和化学结合的实验和理论研究。在硅（100）和玻璃基板上的原子层沉积在100℃的温度下沉积在沉积在100℃的薄膜上进行实验研究。已知无定形钽氧化物的薄膜在很大程度上表现出极大的氧不沸石。进行X射线吸收和光电子研究表明所考虑的薄膜中的氧过化组合物。剩余氧原子具有1S电子水平，其结合能量约为1eV比这些在参考TA 2 O 5氧化物中高约1eV。密度泛函理论被应用于找到额外的氧原子的可能位置。进行的计算表明，额外的原子可以形成哑铃缺陷，其在正交结构中积聚悬空氧键，并导致氧1S水平结合能量的增加。这种氧气粘结的存在可能是负责在许多应用中非常重要的无定形薄膜化学电阻率的增加。

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    《RSC Advances》 |2019年第61期|共8页
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  • 正文语种 eng
  • 中图分类 化学;
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