标题：The origin of two-dimensional electron gas formed in LaGaO3/SrTiO3
作者：Wang, Funing ;Li, Jichao ;Du, Yanling ;Zhang, Xinhua ;Liu, Hanzhang ;Liu, Jian ;Wang, Chunlei ;Mei, Liangmo
作者机构：[Wang, Funing ;Li, Jichao ;Du, Yanling ;Zhang, Xinhua ;Liu, Hanzhang ;Liu, Jian ;Wang, Chunlei ;Mei, Liangmo ] School of Physics, Shandong University, 更多
来源：Applied Surface Science
摘要：The first-principles calculations are employed to investigate the electrical properties of (0 0 1) epitaxial LaGaO3/SrTiO3heterostructure. It is found that the interface remains metallic and the atomic displacements occur mostly in the SrTiO3side after atomic relaxation. The interface crystal field induces the Ti t2gorbitals to split into the nondegenerate dxyand two-fold degenerate dxz/yzorbitals. The partly filled nondegenerate dxyorbitals are the origin of two-dimensional electron gas at the interface of LaGaO3/SrTiO3(0 0 1).
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