密度汎関数理論に基づくTiO_2(アナターゼ)薄膜の反応性イオンエッチングの反応評価

概要

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We evaluate the reactivity between the surface of the film and gas molecules and determine the optimum gas combinations by calculating the total energy based on the density functional theory. We propose a model for the etching process of titanium oxide thin films. In this model, we consider three specific states, namely, the initial, intermediate and final states. On etching TiO2 (anatase), we observed that it is more efficient to have fluorine-based reactive gases (e.g. CHF3) than other considered reactive gases (e.g. CH4, H2O) in order to enhance the etching.
日本真空協会の論文
2008-06-20