Germanium Growth Orientation on SrTiO3 (001) 2 脳 1 Surface: Role of Surface Reduction

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• 作者：Junjie Wang ; Isabelle Lefebvre
• 刊名：The Journal of Physical Chemistry C
• 出版年：2013
• 出版时间：May 16, 2013
• 年：2013
• 卷：117
• 期：19
• 页码：9887-9894
• 全文大小：420K
• 年卷期：v.117,no.19(May 16, 2013)
• ISSN：1932-7455

文摘

We present a theoretical study of germanium growth orientation dependence on SrTiO₃ surface structure using first-principles calculations. Contrary to much work on the SrTiO₃ surface which considers the simple TiO₂ termination, we work on the now well known 2 脳 1 reconstructed surface, which is terminated with a TiO₂ double layer.(29) We study the oxygen reduction at this surface maintaining the 2 脳 1 reconstruction. Analysis of its electronic structure shows that the reduction leads to a metallic surface and changes of the surface bond characteristics. Therefore, the growth routes for Ge epitaxy are studied. It is demonstrated that the reduction favors the creation of the Ge鈥揙 bonds by weakening the strength of the Ti鈥揙 bonds. It gives the possibility of Ge[001] growth direction, which is not possible on a nonreduced surface.