Experimental band structure of cadmium sulfide
Experimental band structure of cadmium sulfide
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DOI：
10.1103/physrevb.28.3306
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发表时间：
1983-09
影响因子：
3.7
通讯作者：
N. Stoffel
中科院分区：
文献类型：
--
作者：
N. Stoffel
利用同步辐射角分辨光电子能谱研究了纤锌矿型CdS的体电子结构。我们发现直接跃迁在很大程度上决定了实验光谱的形状。从所有的高对称点的布里渊区的信息可从正常和非正常的发射光谱与偏振选择规则的援助。与我们的实验确定的临界点能量的比较表明，现有的纤锌矿CdS的理论能带结构计算是定性正确的，但低估了带色散的程度。例如，我们观察到的上价带宽度为4.5 eV，这是显着大于预测值2.7- 3.3 eV。我们的光谱也揭示了精细结构的Cd $4d$核心水平的光谱。这表明Cd $4d$电子参与了化学键合。
We have investigated the bulk electronic structure of wurtzite CdS using angle-resolved photoelectron spectroscopy with synchrotron radiation. We find that direct transitions largely determine the shape of the experimental spectra. Information from all high-symmetry points in the Brillouin zone is available from normal- and off-normal-emission spectra with the aid of polarization selection rules. A comparison with our experimentally determined critical-point energies shows that existing theoretical band-structure calculations for wurtzite CdS are qualitatively correct, but underestimate the extent of the band dispersion. For example, we observe an upper-valence-band width of 4.5 eV, which is significantly larger than the predicted values of 2.7---3.3 eV. Our spectra also reveal fine structure in the Cd $4d$ core-level spectra. This suggests that the Cd $4d$ electrons are involved in the chemical bonding.