Surface adsorption and carrier control in LaAlO3/SrTiO3 heterointerface
作者单位：Hefei National Laboratory for Physical Science at Microscale and Department of Chemical Physics USTC
会议名称：《2012年理论与高性能计算化学国际会议》
会议日期：2013年
学科分类：081704[工学-应用化学] 07[理学] 08[工学] 0817[工学-化学工程与技术] 0703[理学-化学] 070301[理学-无机化学]
关 键 词：LaAlO3/SrTiO3 2DEG Surface adsorption Carrier control
摘 要：Surface molecule and atom adsorption behaviors in LAO/STO heterointerface have been investigated with density functional theory （DFT） calculations. The results indicate surface polar molecule adsorption can regulate the carrier mobility in LAO/STO via the control of charge transfer between the surface states of LAO and the conductivity buried in the STO. The oxygen vacancies on the LAO surfaces take primary effect in surface adsorption process. Furthermore, many atoms （H, Cu and Si） adsorption on LAO surfaces can donate electrons to the LAO/STO interfaces and effectively enhance the carrier concentration of 2DEG.