Nonlocal screening effects on core-level photoemission spectra investigated by large-cluster models

Kozo Okada, Akio Kotani

Research output: Contribution to journalArticle

53 Citations (Scopus)

Abstract

The copper 2p core-level x-ray photoemission spectrum in CuO2 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 Cu3O10 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 2pπ orbits are taken into account in the calculations. We also introduce a Hartree-Fock approximation in order to treat much larger-cluster models.

Original languageEnglish
Pages (from-to)4794-4800
Number of pages7
JournalPhysical Review B
Volume52
Issue number7
DOIs
Publication statusPublished - 1995
Externally publishedYes

Fingerprint

Core levels
Photoemission
Screening
photoelectric emission
screening
Hartree approximation
trucks
hole distribution
Copper
Orbits
X rays
orbits
copper
x rays

ASJC Scopus subject areas

  • Condensed Matter Physics

Cite this

Nonlocal screening effects on core-level photoemission spectra investigated by large-cluster models. / Okada, Kozo; Kotani, Akio.

In: Physical Review B, Vol. 52, No. 7, 1995, p. 4794-4800.

Research output: Contribution to journalArticle

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