作者
Kozo Okada, Akio Kotani
发表日期
1995/8/15
期刊
Physical Review B
卷号
52
期号
7
页码范围
4794
出版商
American Physical Society
简介
The copper 2p core-level x-ray photoemission spectrum in CuO 2 plane systems is calculated by means of large-cluster models to investigate in detail the nonlocal screening effects, which were pointed out by van Veenendaal et al.[Phys. Rev. B 47, 11 462 (1993)]. Calculating the hole distributions for the initial and final states of photoemission, we show that the atomic coordination in a cluster strongly affects accessible final states. Accordingly, we point out that the interpretation for Cu 3 O 10 given by van Veenendaal et al. is not always general. Moreover, it is shown that the spectrum can be remarkably affected by whether or not the O 2 p π orbits are taken into account in the calculations. We also introduce a Hartree-Fock approximation in order to treat much larger-cluster models.
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