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First-Principles Angle-Resolved Photoemission Intensity Calculations in Y Ba2Cu3O7

Published online by Cambridge University Press:  25 February 2011

M. Lindroos ,
A. Bansil  and
J. C. Campuzano
M. Lindroos
Affiliation:
Physics Department, Northeastern University, Boston, Massachusetts 02115 Physics Department, Tampere University of Technology, Tampere, Finland
A. Bansil
Affiliation:
Physics Department, Northeastern University, Boston, Massachusetts 02115
J. C. Campuzano
Affiliation:
Materials Science Division, Argonne National Laboratory, Illinois 60439 Dept. of Physics, University of Illinois at Chicago, Illinois 60860
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Abstract

We discuss the application of the multiple scattering theory to obtain first-principles predictions of angle-resolved photoemission intensities (ARPES) in the high-Tc superconductors. In this connection, we have generalized and implemented the ‘one-step’ photoemission approach to treat systems with an arbitrary number of atoms in the layer unit cell. We illustrate the methodology with results for the r-S symmetry direction for the (001)-surface of orthorhombic YBa2Cu3O7. Our computations give insight into the effects of surface termination, and of polarization of incident light on photoemission intensities.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 253: Symposium V – Application of Multiple Scattering Theory to Materials Science , 1991 , 519
Copyright
Copyright © Materials Research Society 1992

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References

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