Quantum size effect in Pb(100) films: Critical role of crystal band structure

Physical Review B - Condensed Matter and Materials Physics

Volumn 75, Issue 19, 2007, Pages

  Wei, C M ^a   Chou, M Y ^b  

^a INSTITUTE OF ATOMIC AND MOLECULAR SCIENCES   (Taiwan)

^b GEORGIA INSTITUTE OF TECHNOLOGY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 34347364655     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.75.195417     Document Type: Article

References (29)

1. For a review, see T.-C. Chiang, Surf. Sci. Rep. SSREDI 0167-5729 10.1016/S0167-5729(00)00006-6 39, 181 (2000).
2. F. K. Schulte, Surf. Sci. SUSCAS 0039-6028 10.1016/0039-6028(76)90250-8 55, 427 (1976).
3. Z. Zhang, Q. Niu, and C. K. Shih, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.80.5381 80, 5381 (1998).
4. A. R. Smith, K.-J. Chao, Q. Niu, and C. K. Shih, Science SCIEAS 0036-8075 10.1126/science.273.5272.226 273, 226 (1996).
5. L. Gavioli, K. R. Kimberlin, M. C. Tringides, J. F. Wendelken, and Z. Zhang, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.82.129 82, 129 (1999).
6. K. Budde, E. Abram, V. Yeh, and M. C. Tringides, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.61.R10602 61, R10602 (2000)
7. V. Yeh, L. Berbil-Bautista, C. Z. Wang, K. M. Ho, and M. C. Tringides, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.85.5158 85, 5158 (2000).
8. M. Hupalo, S. Kremmer, V. Yeh, L. Berbil-Bautista, and M. C. Tringides, Surf. Sci. SUSCAS 0039-6028 10.1016/S0039-6028(01)01262-6 493, 526 (2001).
9. W. B. Su, S. H. Chang, W. B. Jian, C. S. Chang, L. J. Chen, and T. T. Tsong, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.86.5116 86, 5116 (2001).
10. D.-A. Luh, T. Miller, J. J. Paggel, M. Y. Chou, and T.-C. Chiang, Science SCIEAS 0036-8075 10.1126/science.292.5519.1131 292, 1131 (2001).
11. T. Valla, M. Kralj, A. Siber, M. Milun, P. Pervant, P. D. Johnson, and D. P. Woodruff, J. Phys.: Condens. Matter JCOMEL 0953-8984 10.1088/0953-8984/12/ 28/105 12, L477 (2000).
12. D.-A. Luh, T. Miller, J. J. Paggel, and T.-C. Chiang, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.88.256802 88, 256802 (2002).
13. J. J. Paggel, C. M. Wei, M. Y. Chou, D.-A. Luh, T. Miller, and T.-C. Chiang, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.66.233403 66, 233403 (2002).
14. Y. Guo, Y.-F. Zhang, X.-Y. Bao, T.-Z. Han, Z. Tang, L.-X. Zhang, W.-G. Zhu, E. G. Wang, Q. Niu, Z. Q. Qiu, J.-F. Jia, Z.-X. Zhao, and Q.-K. Xue, Science SCIEAS 0036-8075 10.1126/science.1105130 306, 1915 (2004).
15. M. M. Özer, J. R. Thompson, and H. H. Weitering, Nat. Phys. ZZZZZZ 1745-2473 1, 117 (2005).
16. D. Eom, S. Qin, M.-Y. Chou, and C. K. Shih, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.96.027005 96, 027005 (2006).
17. L. Aballe, A. Barinov, A. Locatelli, S. Heun, and M. Kiskinova, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.93.196103 93, 196103 (2004).
18. N. Binggeli and M. Altarelli, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.96.036805 96, 036805 (2006).
19. T.-L. Chan, C. Z. Wang, M. Hupalo, M. C. Tringides, and K. M. Ho, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.96.226102 96, 226102 (2006).
20. A previous paper [J. C. Boettger, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.53.13133 53, 13133 (1995)] studied Al(111) films up to 12 ML and reported an even-odd oscillation in the surface energy starting from four layers. However, based on the simple jellium model the quantum size effect for Al(111) films would exhibit a periodicity of about 3 ML. We have carried out a density-functional pseudopotential calculation and found that indeed the correct periodicity is 3 ML. The numerical results in the previous paper were unreliable due to the small number of k points used in the calculation and the possible error in the wave function using a linear combination of Gaussian-type orbitals-fitting functions. Our results for the Al films will be presented in a future presentation.
21. T. Miller, A. Samsavar, G. E. Franklin, and T.-C. Chiang, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.61.1404 61, 1404 (1988).
22. N. V. Smith, N. B. Brookes, Y. Chang, and P. D. Johnson, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.49.332 49, 332 (1994).
23. C. M. Wei and M. Y. Chou, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.66.233408 66, 233408 (2002).
24. G. Kresse and J. Furthmüller, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.54.11169 54, 11169 (1996), and references therein.
25. D. Vanderbilt, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.41.7892 41, 7892 (1990).
26. J. P. Perdew, in Electronic Structure of Solids '91, edited by, P. Ziesche, and, H. Eschrig, (Akademie Verlag, Berlin, 1991).
27. D. Yu and M. Scheffler, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.70.155417 70, 155417 (2004).
28. J. C. Boettger, J. R. Smith, U. Birkenheuer, N. Rösch, S. B. Trickey, J. R. Sabin, and S. P. Apell, J. Phys.: Condens. Matter JCOMEL 0953-8984 10.1088/0953-8984/10/4/017 10, 893 (1998), and references therein.
29. D. Yu, M. Scheffler, and M. Persson, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.74.113401 74, 113401 (2006).