Stability of Excess Oxygen Atoms near Oxide Precipitate and Oxygen Solubility in Silicon Crystal
Stability of Excess Oxygen Atoms near Oxide Precipitate and Oxygen Solubility in Silicon Crystal
复制标题
氧化物析出物附近过量氧原子的稳定性及硅晶体中的氧溶解度
DOI：
10.1149/2.0101803jss
复制
发表时间：
2018
影响因子：
2.2
通讯作者：
Eiji Kamiyama and Koji Sueoka
中科院分区：
文献类型：
--
作者：
Onaka-Masada Ayumi;Okuyama Ryosuke;Nakai Toshiro;Shigematsu Satoshi;Okuda Hidehiko;Kobayashi Koji;Hirose Ryo;Kadono Takeshi;Koga Yoshihiro;Shinohara Masanori;Sueoka Koji;Kurita Kazunari;只野 快，末岡 浩治;Eiji Kamiyama and Koji Sueoka
氧化物沉淀物和周围的Si晶体，OP/Si，的界面结构已被研究，通过集中在与O在Si中的溶解度连接的界面附近的过量O原子的稳定性。过量的O原子变得更稳定的界面附近比那些在远离界面的Si基质中的间隙位置。通过从头计算，过渡层的厚度最多为模型中的三个Si原子层的厚度。具有几个nm的厚度的过渡层先前已被检测到的电子能量损失谱（EELS）和建模分析，通过使用Hakoniwa方法。在较低的温度范围内，在过渡层中捕获的间隙氧原子的比例增加，预计通过降低温度，并在此范围内的硅中的O溶解度的可能范围推导。在较高的温度范围内，没有过渡层的界面模型表明，溶解度原来是众所周知的Arrhenius型，并再现了实验结果。最后，我们提出了一个半宏观的OP/Si界面模型来解释以前报道的EELS结果。
The interfacial structure of oxide precipitate and the surrounding Si crystal, OP/Si, has been investigated by focusing on the stability of excess O atoms near the interface in connection with the solubility of O in Si. Excess O atoms become more stable near the interface than those in the interstitial sites in the Si matrix far from the interface. The thickness of the transition layers was at most that of the three Si atomic layer in models through ab initio calculations. Transition layers with a thickness of several nm have been previously detected by electron energy loss spectroscopy (EELS) and modeled for analysis by using the Hakoniwa method. In a lower temperature range, the increase in the ratio of captured interstitial O atoms in a transition layer was expected by lowering the temperature, and the possible range of O solubility in Si in this range was derived. In a higher temperature range, the interface model without transition layers showed that the solubility turns out to be the well-known Arrhenius-type and reproduces the experimental results. And finally, we propose a semi-macroscopic model for the OP/Si interface to explain the previously reported EELS results.