Signature of the CuO{sub 2} plane related bands in YBa{sub 2}Cu{sub 3}O{sub 6.9} as seen by angle-resolved photoemission

Technical Report · Tue Sep 01 00:00:00 EDT 1992

DOI:https://doi.org/10.2172/10158490· OSTI ID:10158490

Lindroos, M; Bansil, A ^[1]; Gofron, K; Campuzano, J C; Ding, H ^[2]; Liu, R ^[2]; Veal, B W ^[2]

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1. Northeastern Univ., Boston, MA (United States). Physics Dept.
2. Argonne National Lab., IL (United States). Materials Science Div.

The authors present first-principles computations together with corresponding angle-resolved photoemission measurements in order to delineate the shape and polarization dependence of the spectral feature associated with the CuO{sub 2} plane-related bands from the (001) surface of YBa{sub 2}Cu{sub 3}O{sub 6.9}. Theoretical predictions are found to be in remarkable agreement with the observed character of the spectral feature between 0 and 0.3 eV binding energy (for k{sub {parallel}} values along the {Gamma}-S line), and indicate that the local-density-approximation based wave-functions implicit in the theory provide a reasonable description of the CuO{sub 2} plane band states near the Fermi energy. The computations also show that of the six possible surface terminations, the ARPES spectra from Y123(001) surface are reasonably described by the BaO/CuO{sub 2} ideal surface termination, i.e. by assuming a BaO layer followed by a CuO{sub 2} plane layer below.

• Research Organization: Argonne National Lab., IL (United States). Materials Science Div.; Northeastern Univ., Boston, MA (United States). Dept. of Physics
• Sponsoring Organization: USDOE, Washington, DC (United States); National Science Foundation, Washington, DC (United States)
• DOE Contract Number: W-31109-ENG-38
• OSTI ID: 10158490
• Report Number(s): ANL/MSD/PP-77623; ON: DE94013297; CNN: Grant DMR8914120; Contract DMR-8809854; TRN: AHC29413%%59
• Resource Relation: Other Information: PBD: Sep 1992
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
YTTRIUM OXIDES
ELECTRONIC STRUCTURE
BARIUM OXIDES
COPPER OXIDES
SPECTRA
FERMI LEVEL
BAND THEORY
EXPERIMENTAL DATA
BINDING ENERGY
WAVE FUNCTIONS
THEORETICAL DATA
360204
PHYSICAL PROPERTIES