A. V. Babich, V. V. Pogosov, P. V. Vakula


We suggest a method for the self-consistent calculations of characteristics of metal films in
dielectric environment. Within a modified Kohn-Sham method and stabilized jellium model, the
most interesting case of asymmetric metal-dielectric sandwiches is considered, for which dielectric
media are different from the two sides of the film. As an example, we focus on Na, Al
and Pb. We calculate the spectrum, electron work function, and surface energy of polycrystalline
and crystalline films placed into passive isolators. We find that a dielectric environment
generally leads to the decrease of both the electron work function and surface energy. It is
revealed that the change of the work function is determined only by the average of dielectric
constants from both sides of the film. We introduced the position of a conductivity band in the
dielectric as a parameter in the self-consistency procedure and performed calculations, using
image potential, for the aluminum film with ideal interfaces vacuum/Al(111)/SiO 2 ,
vacuum/Al(111)/AlO and sandwiches SiO/Al(111)/AlO. As a result, effective potential profiles
and the Schottky barrier heights were calculated.


metal nanofilm, dielectric, work function, surface energy, Schottky barrier height.

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Otero, R. Observation of preferred heights in Pb nanoislands: A quantum size effect / R. Otero, A. L. Vazquez de Parga and R. Miranda // Phys. Rev. B. – 2002. – V. 66, № 11. –Р. 115401. 2. Pagge, J. J. Atomic-layer-resolved quantum oscillations in the work function: Theory and experiment for Ag/Fe(100) /J. J. Paggel, C. M. Wei, M. Y. Chou // Phys. Rev. B. – 2002. –V. 66, № 23. – Р. 115401. 3. Buturovich, D. V. Friedel oscillations in ytterbium films deposited on the Si(111) 7 x 7 surface / D. V. Buturovich, M. V. Kuz’min, M. V. Loginov // Physics of the Solid State. – 2006. – V. 48, № 1. – P. 2205–2208. 4. Liu, Y. Quantized electronic structure and growth of Pb films on highly oriented pyrolytic graphite / Y. Liu, J. J. Paggel, M. H. Upton, T. Miller and T.-C. Chiang // Phys.Rev. B. – 2008. – V. 78, № 23. – Р. 235437. 5. Chiang, T.-C. Quantum physics of thin metal films / Chiang T.-C.// Bulletin of AAPPS. – 2008. – V.81, №2. – P. 2–10. 6. Quantum oscillations in surface properties / [Vazquez deParga A. L., Hinarejos J. J., Calleja F. and other] // Surface Science. – 2009. – V. 603. – P. 1389–1396. 7. Vinogradov N.A., Size effects in ultrathin Mg/W(110) films:Quantum electronic states / N. A. Vinogradov, D. E. Marchenko, A. M. Shikin // Phys. Sol. State. – 2009. –V. 51. – P. 179. 8. Consonant diminution of lattice and electronic coupling between a film and a substrate: Pb on Ge(100) / Chen P.-W., Lu Y.-H., Chang T.-R., Wang C.-B. // Phys. Rev. B. – 2011. – V.84, № 20 – P. 205401. 9. Self-consistent study of electron confinement to metallic thin films on solid surfaces / [Ogando E., Zabala N., Chulkov E. V., Puska M. J.] // Phys. Rev. B. – 2005. – V.71, № 20. – Р. 205401. 10. Rogers III J. P., Quantum size effects in the fermi energy and electronic density of states in a finite square well thin film model / Rogers III J. P., Cutler P. H., Feuchtwang T. E. //Surface Science. – 1987. – V. 181. – P. 436–456.

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