Valence electronic structure of<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant="normal">Y</mml:mi></mml:mrow><mml:mrow><mml:mn>1</mml:mn></mml:mrow></mml:msub></mml:mrow></mml:math><mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant="normal">Ba</mml:mi></mml:mrow><mml:mrow><mml:mn>2</mml:mn></mml:mrow></mml:msub></mml:mrow></mml:math><mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant="normal">Cu</mml:mi></mml:mrow><mml:mrow><mml:mn>3</mml:mn></mml:mrow></mml:msub></mml:mrow></mml:math><mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant="normal">O</mml:mi></mml:mrow><mml:mrow><mml:mn>7</mml:mn></mml:mrow></mml:msub></mml:mrow></mml:math>
J. A. YarmoffIBM Thomas J. Watson Research Center, Box 218, Yorktown Heights, New York 10598David R. ClarkeIBM Thomas J. Watson Research Center, Box 218, Yorktown Heights, New York 10598W. DrubeIBM Thomas J. Watson Research Center, Box 218, Yorktown Heights, New York 10598U. O. KarlssonIBM Thomas J. Watson Research Center, Box 218, Yorktown Heights, New York 10598A. Taleb‐IbrahimiIBM Thomas J. Watson Research Center, Box 218, Yorktown Heights, New York 10598F. J. HimpselIBM Thomas J. Watson Research Center, Box 218, Yorktown Heights, New York 10598
1987lv
ABI
Аннотация
The occupied and unoccupied valence-band structure of ${\mathrm{Y}}_{1}$${\mathrm{Ba}}_{2}$${\mathrm{Cu}}_{3}$${\mathrm{O}}_{7}$ is probed with photoemission, inverse photoemission, and near-edge x-ray absorption. The Cu $3d$ and O $2p$ states nearly coincide, thereby maximizing their interaction. The occupied states are shifted down by 2 eV relative to ground-state band calculations, indicating localization and a Coulomb interaction $U>2$ eV. The bandwidth is 10 eV with the top of the band at ${E}_{F}+2.5$ eV. Cu is found in the 2+ oxidation state. O has $2p$ holes which are assigned to specific oxygen atoms.
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