Quantization condition of quantum-well states in Cu/Co(001)

J. M. An, D. Raczkowski, Y. Z. Wu, C. Y. Won, L. W. Wang, A. Canning, M. A. Van Hove, E. Rotenberg, and Z. Q. Qiu
Phys. Rev. B 68, 045419 – Published 21 July 2003
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Abstract

Recent photoemission data exhibit individual quantum-well states (QWSs) at integer numbers (1–20) of monolayers in a Cu(001) film grown on a Co(001) substrate film, itself grown pseudomorphically on Cu(001). Ab initio calculations confirm the concept of the quantization condition inherent in the phase accumulation model (PAM) to predict the energies of QWSs as a function of their thickness, and provide new insight into their nature. In addition, it is shown that band structures and reflection phases obtained from either experiment or ab initio theory can quantitatively predict QWS energies within the PAM model. It is shown that a simple superposition of oppositely traveling Bloch states, phase-shifted by the reflections from surface and interface, gives an excellent representation of the QWSs within the ultrathin film. We point out an improvement to the standard local density approximation to better represent the image potential of the free surface and its influence on QWS. It is also shown that QWSs are tolerant of interdiffusion across the Co/Cu interface, which may broaden the photoemission peaks characteristic of QWSs.

  • Received 10 April 2003

DOI:https://doi.org/10.1103/PhysRevB.68.045419

©2003 American Physical Society

Authors & Affiliations

J. M. An1,*, D. Raczkowski2, Y. Z. Wu3,4, C. Y. Won3,4, L. W. Wang2, A. Canning2, M. A. Van Hove1,3,5, E. Rotenberg1, and Z. Q. Qiu3,4

  • 1Advanced Light Source, Lawrence Berkeley National Laboratory, Berkeley California 94720, USA
  • 2Computational Research Division, Lawrence Berkeley National Laboratory, Berkeley California 94720, USA
  • 3Materials Sciences Division, Lawrence Berkeley National Laboratory, Berkeley California 94720, USA
  • 4Department of Physics, University of California, Berkeley, California 94720, USA
  • 5Department of Physics, University of California, Davis, California 95616, USA

  • *Electronic address: jman@lbl.gov

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Issue

Vol. 68, Iss. 4 — 15 July 2003

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