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首页> 外文期刊>Journal of Applied Physics >Band alignment at the ZrO_2/Si(100) interface studied by photoelectron and x-ray absorption spectroscopy
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Band alignment at the ZrO_2/Si(100) interface studied by photoelectron and x-ray absorption spectroscopy

机译：通过光电子和X射线吸收光谱研究ZrO_2 / Si（100）界面处的能带对准

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摘要

We present measurements of the Zr and Si core level photoelectron binding energies relative to the Fermi level and the vacuum level under a ZrO_2 growth series on Si(100). It is shown that the Zr core level binding energy is most properly referenced to the local vacuum level already from the monolayer regime. This confirms the insulating properties of ZrO_2. The Si core levels are referenced to the Fermi level and undergo shifts consistent with the disappearance of the mid-band-gap states originating from the (2 X 1) reconstruction on the clean Si(100) surface. The use of O 1s x-ray absorption spectroscopy (XAS) to determine the location of the conduction band edge of ZrO_2 is discussed with the aid of ab initio calculations. It is demonstrated that the conduction band edge is located at the XAS peak position and that the position relative to the valence band can be determined by aligning the O 1s XAS spectrum to the O 1s photoelectron spectrum. The study thus establishes that photoelectron spectroscopy in conjunction with x-ray absorption spectroscopy forms a most powerful tool for studies of the band alignment at metal oxide-silicon interfaces.
机译：我们提出了相对于费米能级和在Si（100）上ZrO_2生长系列下的真空能级的Zr和Si核能级光电子结合能的测量。结果表明，Zr核心能级结合能最恰当地参考了已经来自单层态的局部真空能级。这证实了ZrO_2的绝缘性能。 Si核能级以费米能级为参考，并且发生与中带隙态消失一致的偏移，该中带隙态源自干净Si（100）表面上的（2 X 1）重构。借助于从头算，讨论了使用O 1s X射线吸收光谱法（XAS）确定ZrO_2的导带边缘的位置。已经证明，导带边缘位于XAS峰位置，并且可以通过将O 1s XAS光谱与O 1s光电子能谱对齐来确定相对于价带的位置。因此，该研究确定了光电子能谱与X射线吸收能谱相结合，是研究金属氧化物-硅界面处能带对准的最有力工具。

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