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

Quantization condition of quantum-well states in Cu/Co(001) Recent photoemission data exhibit individual quantum well states (QWS) at integer numbers (1 to 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 QWS 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 QWS within the ultrathin film. We point out an improvement to the standard LDA to better represent the image potential of the free surface and its influence on QWS. It is also shown that QWS are tolerant of interdiffusion across the Co/Cu interface, which may broaden the photoemission peaks characteristic of QWS.
Authors: ; ; ; ; ; ; ; ;
Publication Date:
OSTI Identifier:OSTI ID: 822835
Report Number(s):LBNL--52491
Journal ID: ISSN 0163-1829; R&D Project: AJ03MV; TRN: US200414%%304
DOE Contract Number:AC03-76SF00098
Resource Type:Journal Article
Resource Relation:Journal Name: Physical Review, B: Condensed Matter; Journal Volume: 68; Other Information: Journal Publication Date: 2003; PBD: 15 Apr 2003
Research Org:Ernest Orlando Lawrence Berkeley National Laboratory, Berkeley, CA (US)
Sponsoring Org:USDOE Director, Office of Science. Office of Basic Energy Sciences. Materials Science and Engineering Division; National Science Foundation (US)
Country of Publication:United States
Language:English
Subject: 36 MATERIALS SCIENCE; 75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; PHOTOEMISSION; QUANTIZATION; REFLECTION; SUBSTRATES; THICKNESS QUANTUM WELL STATES AB INITIO CALCULATIONS PHOTOEMISSION