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

Journal Article · Tue Apr 15 04:00:00 EDT 2003 · Physical Review, B: Condensed Matter

DOI:https://doi.org/10.1103/PhysRevB.68.045419· OSTI ID:822835

An, J M ^[1]; Raczkowski, D; Wu, Y Z; Won, C Y; Wang, L W; Canning, A; Van Hove, M A; Rotenberg, E; Qiu, Z Q

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1. LBNL Library

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.

• Research Organization: Ernest Orlando Lawrence Berkeley National Laboratory, Berkeley, CA (US)
• Sponsoring Organization: USDOE Director, Office of Science. Office of Basic Energy Sciences. Materials Science and Engineering Division; National Science Foundation (US)
• DOE Contract Number: AC03-76SF00098
• OSTI ID: 822835
• Report Number(s): LBNL--52491
• Journal Information: Physical Review, B: Condensed Matter, Journal Name: Physical Review, B: Condensed Matter Vol. 68; ISSN 0163-1829
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
75 CONDENSED MATTER PHYSICS
SUPERCONDUCTIVITY AND SUPERFLUIDITY
PHOTOEMISSION
QUANTIZATION
QUANTUM WELL STATES AB INITIO CALCULATIONS PHOTOEMISSION
REFLECTION
SUBSTRATES
THICKNESS