Temperature dependence of oxidation reaction paths on Si(111)77 studied by real-time photoelectron spectroscopy and theoretical calculations

Si(111)77表面酸化反応経路の温度依存に関するリアルタイム光電子分光と理論計算による研究

Tang, J.*; 西本 究*; 小川 修一*; 吉越 章隆 ; 石塚 眞治*; 寺岡 有殿; 高桑 雄二*

Tang, J.*; Nishimoto, Kiwamu*; Ogawa, Shuichi*; Yoshigoe, Akitaka; Ishizuka, Shinji*; Teraoka, Yuden; Takakuwa, Yuji*

Temperature dependence of oxygen adsorption states at Si(111)-77 surface was observed by real-time photoelectron spectroscopy. Moreover, the reaction path of O at the surface was obtained by molecular dynamics simulations and density functional theoretical calculations. The temperature dependent increase of saturated oxygen indicates that more oxygen atoms adsorb at the surface at higher tempetarures. Work function increases initially at low temperatures and then significantly decreases. It is known that work function is due to the surface dipole layer and the band bending effects. The band bending is found to be small during the initial oxidation, which implies that the surface dipole layer mainly affects work function.