√2×√2R45° reconstruction and electron doping at the SrO-terminated SrTiO3(001) surface
√2×√2R45° reconstruction and electron doping at the SrO-terminated SrTiO3(001) surface
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SrO封端的SrTiO3(001)表面√2×√2R45°重建和电子掺杂
DOI：
10.1103/physrevb.96.085303
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发表时间：
2017
影响因子：
3.7
通讯作者：
Fukutani Katsuyuki
中科院分区：
文献类型：
--
作者：
Ogawa Shohei;Kato Koichi;Nagatsuka Naoki;Ogura Shohei;Fukutani Katsuyuki
利用低能电子衍射、俄歇电子能谱、原子力显微镜、紫外光电子能谱（UPS）和理论计算研究了（001）表面的原子和电子结构。退火72 h后，表面为SrO封端，而退火72 h后，表面沿着形成了SrO封端的多孔结构。第一性原理计算结果表明，最稳定的表面是周期性的SrO缺陷表面.此外，在SrO-terminatedsurface上测量的UPS显示出向上的能带弯曲相比，终止的表面。无论是在间隙或金属态形成的掺杂电子的thesurface相比，终止的表面。
The atomic and electronic structure of(001) surfaces is investigated by low-energy electron diffraction, Auger electron spectroscopy, atomic force microscopy, ultraviolet photoemission spectroscopy (UPS), and theoretical calculations. While the surface is-terminated after annealing atfor 72 h, an SrO-terminated surface is realized along with areconstruction after annealing atfor 72 h. The stability of the surface structure revealing ais evaluated by first-principles calculations, which shows that the most stable surface is a periodically SrO-deficient surface. Furthermore, UPS measured on the SrO-terminatedsurface shows an upward band bending as compared to the-terminated surface. Neither in-gap nor metallic states are formed by doping electrons to thesurface in contrast to the-terminated surface.