Electronic structure of Nd 2-xCe xCuO 4 and La 2-xSr xCuO 4 deduced from Cu 2 p photoemission and photoabsorption

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Abstract

The electronic structures of Nd 2-xCe xCuO 4 and La 2-xSr xCuO 4 are studied using numerical diagonalization calculations for cluster models, Cu 5O 16, Cu 7O 20, and Cu 8O 16. The Fermi energy of Nd 2CuO 4 used in the experiment is assumed to be pinned at the bottom of the upper Hubbard band, while that of La 2CuO 4 is assumed to be pinned at the top of the Zhang Rice singlet band. This assumption enables us to consistently understand the doping dependence of the Cu 2 p photoemission and photoabsorption spectra in Nd 2-xCe xCuO 4 and La 2-xSr xCuO 4 on the basis of the so-called "crossing the gap" picture. The present calculation of Cu 2 p photoemission spectrum also shows that core hole screening caused by charge transfer between neighboring CuO 4 plaquettes, in other words, nonlocal screening (NLS), is important in Nd 2CuO 4 as well as in La 2CuO 4.

Original languageEnglish
Article number034725
JournalJournal of the Physical Society of Japan
Volume78
Issue number3
DOIs
Publication statusPublished - Mar 2009

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photoabsorption
photoelectric emission
screening
electronic structure
rice
charge transfer
energy

Keywords

  • Chemical shift, Nd Ce CuO , La Sr CuO
  • Cu 2 photoemission
  • Dp model
  • Nonlocal screening
  • X-ray absorption
  • Zhang Rice singlet

ASJC Scopus subject areas

  • Physics and Astronomy(all)

Cite this

@article{f0e2084a20f6427aa5744859c58b9191,
title = "Electronic structure of Nd 2-xCe xCuO 4 and La 2-xSr xCuO 4 deduced from Cu 2 p photoemission and photoabsorption",
abstract = "The electronic structures of Nd 2-xCe xCuO 4 and La 2-xSr xCuO 4 are studied using numerical diagonalization calculations for cluster models, Cu 5O 16, Cu 7O 20, and Cu 8O 16. The Fermi energy of Nd 2CuO 4 used in the experiment is assumed to be pinned at the bottom of the upper Hubbard band, while that of La 2CuO 4 is assumed to be pinned at the top of the Zhang Rice singlet band. This assumption enables us to consistently understand the doping dependence of the Cu 2 p photoemission and photoabsorption spectra in Nd 2-xCe xCuO 4 and La 2-xSr xCuO 4 on the basis of the so-called {"}crossing the gap{"} picture. The present calculation of Cu 2 p photoemission spectrum also shows that core hole screening caused by charge transfer between neighboring CuO 4 plaquettes, in other words, nonlocal screening (NLS), is important in Nd 2CuO 4 as well as in La 2CuO 4.",
keywords = "Chemical shift, Nd Ce CuO , La Sr CuO, Cu 2 photoemission, Dp model, Nonlocal screening, X-ray absorption, Zhang Rice singlet",
author = "Kozo Okada",
year = "2009",
month = "3",
doi = "10.1143/JPSJ.78.034725",
language = "English",
volume = "78",
journal = "Journal of the Physical Society of Japan",
issn = "0031-9015",
publisher = "Physical Society of Japan",
number = "3",

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T1 - Electronic structure of Nd 2-xCe xCuO 4 and La 2-xSr xCuO 4 deduced from Cu 2 p photoemission and photoabsorption

AU - Okada, Kozo

PY - 2009/3

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N2 - The electronic structures of Nd 2-xCe xCuO 4 and La 2-xSr xCuO 4 are studied using numerical diagonalization calculations for cluster models, Cu 5O 16, Cu 7O 20, and Cu 8O 16. The Fermi energy of Nd 2CuO 4 used in the experiment is assumed to be pinned at the bottom of the upper Hubbard band, while that of La 2CuO 4 is assumed to be pinned at the top of the Zhang Rice singlet band. This assumption enables us to consistently understand the doping dependence of the Cu 2 p photoemission and photoabsorption spectra in Nd 2-xCe xCuO 4 and La 2-xSr xCuO 4 on the basis of the so-called "crossing the gap" picture. The present calculation of Cu 2 p photoemission spectrum also shows that core hole screening caused by charge transfer between neighboring CuO 4 plaquettes, in other words, nonlocal screening (NLS), is important in Nd 2CuO 4 as well as in La 2CuO 4.

AB - The electronic structures of Nd 2-xCe xCuO 4 and La 2-xSr xCuO 4 are studied using numerical diagonalization calculations for cluster models, Cu 5O 16, Cu 7O 20, and Cu 8O 16. The Fermi energy of Nd 2CuO 4 used in the experiment is assumed to be pinned at the bottom of the upper Hubbard band, while that of La 2CuO 4 is assumed to be pinned at the top of the Zhang Rice singlet band. This assumption enables us to consistently understand the doping dependence of the Cu 2 p photoemission and photoabsorption spectra in Nd 2-xCe xCuO 4 and La 2-xSr xCuO 4 on the basis of the so-called "crossing the gap" picture. The present calculation of Cu 2 p photoemission spectrum also shows that core hole screening caused by charge transfer between neighboring CuO 4 plaquettes, in other words, nonlocal screening (NLS), is important in Nd 2CuO 4 as well as in La 2CuO 4.

KW - Chemical shift, Nd Ce CuO , La Sr CuO

KW - Cu 2 photoemission

KW - Dp model

KW - Nonlocal screening

KW - X-ray absorption

KW - Zhang Rice singlet

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