THE OXIDATION OF ZIRCONIUM AS OBSERVED BY AUGER-ELECTRON SPECTROSCOPY - A COMPARISON OF EXPERIMENT AND DENSITY OF STATE CALCULATIONS
THE OXIDATION OF ZIRCONIUM AS OBSERVED BY AUGER-ELECTRON SPECTROSCOPY - A COMPARISON OF EXPERIMENT AND DENSITY OF STATE CALCULATIONS
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DOI：
10.1002/sia.740130205
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发表时间：
1988-11-01
影响因子：
1.7
通讯作者：
PAPACHRISTOS, T
中科院分区：
文献类型：
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作者：
JUNGBLUT, B;SICKING, G;PAPACHRISTOS, T
几位研究人员通过使用标准AES设备发现，在样品暴露于氧气后，在80 eV和170 eV之间的能量范围内的Zr信号的峰-峰高度以不寻常的方式变化。1 - 7通常，与较高能量的金属信号相比，较低能量的金属信号的俄歇信号强度的降低更明显。相比之下，在Zr的情况下，氧暴露导致强烈减弱的144 eV峰，而在80 eV和125 eV之间的能量范围内的信号保持相对不受影响。为了研究这种现象，一系列高分辨率的光谱Zr和ZrOx试样。通过应用用于背景校正、平滑和去卷积的算法来处理相应的数据集，从而得到AES光谱，其几乎不受实验加宽和损失过程伪影的影响。作为该过程的结果，变得明显的是，随着氧含量的增加，在144 eV Zr信号以下7 eV处逐渐出现另外的峰，而在80 eV和125 eV之间的信号显示出较小的线形效应。这种新的显着俄歇跃迁可以解释为形成一个氧2 p带，使交叉跃迁和原子间跃迁发生。这一点可以通过对四元ZrO 2，8进行的态密度计算得到证实，该计算揭示了在费米能级以下−4 eV至−8 eV的能量范围内的O 2 p带。较低分辨率的微分光谱，如用于常规分析，不能分辨这两个信号，因此在144 eV处显示出强度相对较低的宽峰。
Several investigators found by using standard AES equipment that the peak‐to‐peak heights of the Zr signals in the energy range between 80 eV and 170 eV vary in an unusual way after exposure of the sample to oxygen.1–7Normally the decrease of the Auger signal intensity is more pronounced for the metal signals of lower energy in comparison to those of higher energy. In contrast, in the case of Zr, an oxygen exposure leads to a strongly weakened 144 eV peak, whereas the signals in the energy range between 80 eV and 125 eV remain relatively unaffected.In order to study this phenomenon, a series of high resolution spectra on Zr and ZrOxspecimens was taken. The corresponding data sets were processed by applying algorithms for background correction, smoothing, and deconvolution resulting in AES spectra, which are almost free from experimental broadening and loss process artifacts. As a result of this procedure, it becomes apparent that with increasing oxygen content an additional peak gradually appears 7 eV below the 144 eV Zr signal, whereas the signals between 80 eV and 125 eV show minor line shape effects. This new marked Auger transition can be explained by the formation of an oxygen 2p band which enables cross transitions and interatomic transitions to take place. This is confirmed by the density of state calculation performed for tetragonal ZrO2,8which reveals a O 2p band in the energy range from −4 eV to −8 eV below the Fermi level. Differentiated spectra of lower resolution, such as used for routine analysis, do not resolve these two signals and therefore show a broad peak of comparatively low intensity at 144 eV.