Skip to main content
Log in

Electron dynamics on gold surfaces driven by short laser pulses

An examination of the slab model within the periodic boundary conditions

  • Regular Article
  • Published:
The European Physical Journal B Aims and scope Submit manuscript

Abstract

This paper describes the application of time-dependent density functional theory (TDDFT) to explore dynamics in condensed matter driven by strong short laser pulses. As a specific example, the calculation of the optical response on a gold surface is presented. The real-time TDDFT treatment of metallic systems is difficult due to the presence of a surface of the Fermi level (EF). Depending on EF, the occupation numbers of the states at each of the k points in the wedge of the first Brillouin zone should be assigned to obtain self-consistent charge-density and Kohn–Sham wavefunctions, which are set as the initial condition for the real-time propagation based on TDDFT. Furthermore, a computational scheme for exploring the optical field enhancement by the Au surface and numerical problems arising from the periodic boundary conditions are discussed.

This is a preview of subscription content, log in via an institution to check access.

Access this article

Price excludes VAT (USA)
Tax calculation will be finalised during checkout.

Instant access to the full article PDF.

Institutional subscriptions

Similar content being viewed by others

References

  1. P. Hohenberg, W. Kohn, Phys. Rev. 136, B864 (1964)

    Article  ADS  Google Scholar 

  2. W. Kohn, L. Sham, Phys. Rev. 140, A1133 (1965)

    Article  ADS  Google Scholar 

  3. J. Ihm, A. Zunger, M.L. Cohen, Phys. C 12, 4409 (1979)

    Article  Google Scholar 

  4. O. Sugino, R. Car, Phys. Rev. Lett. 74, 1823 (1995)

    Article  ADS  Google Scholar 

  5. N. Bloembergen, A.H. Zewail, J. Phys. Chem. 88, 5459 (1984)

    Google Scholar 

  6. R.N. Zare, Science 279, 1875 (1998)

    Article  ADS  Google Scholar 

  7. Y.J. Shiu, Y. Shi, M. Hayashi, C. Su, K.L. Han, S.H. Lin, Chem. Phys. Lett. 378, 202 (2003)

    Article  ADS  Google Scholar 

  8. Z. Lin, L.V. Zhigilei, Proc. of SPIE, High-Power Laser Ablation VI 6261, 62610U (2006)

    Article  Google Scholar 

  9. E. Runge, E.K.U. Gross, Phys. Rev. Lett. 52, 997 (1984)

    Article  ADS  Google Scholar 

  10. K. Yabana, S. T, Y. Shinohara, T. Otobe, G.F. Bertsch, Phys. Rev. B 85, 045134 (2012)

    Article  ADS  Google Scholar 

  11. A. Castro, M.A.L. Marques, J.A. Alonso, G.F. Bertsch, A. Rubio, Eur Phys. J. D 28, 211 (2004)

    Google Scholar 

  12. A. Castro, A. Heiko, O. Micael, A.R. Carlo, X. Andrade, F. Lorenzen, M.A.L. Marques, E.K.U. Gross, A. Rubio, Phys. Status Solidi B 243, 2465 (2006)

    Article  ADS  Google Scholar 

  13. H. Niikura, F. Légare, R. Hasbani, A.D. Bandrauk, M.Y. Ivanov, D.M. Villeneuve, P.B. Corkum, Nature 417, 917 (2002)

    Article  ADS  Google Scholar 

  14. Y. Shimotsuma, K. Hirao, P.G. Kazansky, J. Qiu, Jpn. J. Appl. Phys. 44, 4735 (2005)

    Article  ADS  Google Scholar 

  15. A. Hu, Y. Zhou, W.W. Duley, Open Surf. Sci. J. 3, 42 (2011)

    Google Scholar 

  16. S. Richter, S. Döring, A. Tünnermann, S. Nolte, Appl. Phys. A 103, 257 (2011)

    Article  ADS  Google Scholar 

  17. L. Yan, F. Wang, S. Meng, ACS Nano 10, 5452 (2016) endrefcommentnewpage

    Article  Google Scholar 

  18. Y. Miyamoto, H. Zhang, X. Cheng, A. Rubio, Phys. Rev. B 96, 115451 (2017)

    Article  ADS  Google Scholar 

  19. S. Eustis, M.A. El-Sayed, Chem. Soc. Rev. 35, 209 (2006)

    Article  Google Scholar 

  20. J.F. Li et al., Nature 464, 392 (2010)

    Article  ADS  Google Scholar 

  21. M. Suzuki, J. Phys. Soc. Jpn. 61, 3015 (1992)

    Article  Google Scholar 

  22. M. Suzuki, T. Yamauchi, J. Math. Phys. 34, 4892 (1993)

    Google Scholar 

  23. O. Sugino, Y. Miyamoto, Phys. Rev. B 59, 2579 (1999)

    Article  ADS  Google Scholar 

  24. O. Sugino, Y. Miyamoto, Phys. Rev. B 88, 089901(E) (2002)

    Article  ADS  Google Scholar 

  25. N. Troullier, J.L. Martins, Phys. Rev. B 43, 1993 1991

    Article  ADS  Google Scholar 

  26. L. Kleinman, D.M. Bylander, Phys. Rev. B 48, 1425 (1982)

    ADS  Google Scholar 

  27. Y. Miyamoto, H. Zhang, Phys. Rev. B 77, 165123 (2008)

    Article  ADS  Google Scholar 

  28. R.G. Parr, W. Yang,Density-Functional Theory of Atoms and Molecules (Oxford University Press, New York, 1989)

  29. P.E. Blöchl, O. Jepsen, O.K. Andersen, Phys. Rev. B 49, 16223 (1994)

    Article  ADS  Google Scholar 

  30. K. Kobayashi, Comput. Mater. Sci. 14, 72 (1999)

    Article  Google Scholar 

  31. K. Kobayashi, Mater. Trans. 42, 2153 (2001)

    Article  Google Scholar 

  32. A. Yoneda, H. Fukui, H. Gomi, S. Kamada, L. Xie, N. Hirao, H. Uchiyama, S. Tsutsui, A.Q.R. Baron, Jpn. J. Appl. Phys. 56, 095801 (2017)

    Article  ADS  Google Scholar 

  33. J.P. Perdew, A. Zunger, Phys. Rev. B 23, 5048 (1981)

    Article  ADS  Google Scholar 

  34. D.M. Ceperley, B.J. Alder, Phys. Rev. Lett. 45, 566 (1980)

    Article  ADS  Google Scholar 

  35. J.P. Perdew, K. Burke, M. Ernzerhof, Phys. Rev. Lett. 77, 3865 (1996)

    Article  ADS  Google Scholar 

  36. T. Rangel, D. Keeik, P.E. Trevisanutto, G.M. Rignanese, H.V. Swygenhoven, V. Olevano, Phys. Rev. B 86, 125125 (2012)

    Article  ADS  Google Scholar 

  37. K. Yabana, G.F. Bertsch, Phys. Rev. B 54, 4484 (1996)

    Article  ADS  Google Scholar 

  38. W.M.H. Sachtler, G.J.H. Dorgelo, A.A. Holscher, Surf. Sci. 3, 221 (1966)

    Article  ADS  Google Scholar 

Download references

Author information

Authors and Affiliations

Authors

Corresponding author

Correspondence to Yoshiyuki Miyamoto.

Additional information

Contribution to the Topical Issue “Special issue in honor of Hardy Gross”, edited by C.A. Ullrich, F.M.S. Nogueira, A. Rubio, and M.A.L. Marques.

Rights and permissions

Reprints and permissions

About this article

Check for updates. Verify currency and authenticity via CrossMark

Cite this article

Miyamoto, Y. Electron dynamics on gold surfaces driven by short laser pulses. Eur. Phys. J. B 91, 228 (2018). https://doi.org/10.1140/epjb/e2018-90091-y

Download citation

  • Received:

  • Revised:

  • Published:

  • DOI: https://doi.org/10.1140/epjb/e2018-90091-y

Navigation