PL EN


Preferences help
enabled [disable] Abstract
Number of results
2013 | 124 | 5 | 765-767
Article title

Potential Energy Surfaces for H Adsorbed at 4H-SiC{0001} Surfaces

Content
Title variants
Languages of publication
EN
Abstracts
EN
The constant adsorption energy surfaces for hydrogen adsorbed on Si- and C-terminated hexagonal 4H-SiC{0001} surfaces have been calculated within density functional theory framework. The two unreconstructed and one reconstructed √3 × √3 surfaces were taken into account. We show that on all surfaces there is a global energy minimum indicating the most favourable adsorption site corresponding to H atom adsorption on-top of the topmost substrate layer atom. In case of reconstructed surface, there is another small and shallow local minimum. Moreover, the diffusion barrier is much higher at reconstructed surface than at unreconstructed ones.
Keywords
Year
Volume
124
Issue
5
Pages
765-767
Physical description
Dates
published
2013-11
References
  • [1] Th. Seyller, Appl. Phys. A, Mater. Sci. Proc. 85, 371 (2006)
  • [2] G.P. Brandino, G. Cicero, B. Bonferroni, A. Ferretti, A. Calzolari, C.M. Bertoni, A. Catellani, Phys. Rev. B 76, 085322 (2007)
  • [3] Th. Seyller, J. Phys., Condens. Matter 16, S1755 (2004)
  • [4] Th. Seyller, R. Graupner, N. Sieber, K.V. Emtsev, L. Ley, A. Tadich, J.D. Riley, R.C.G. Leckey, Phys. Rev. B 71, 245333 (2005)
  • [5] G.V. Soares, I.J.R. Baumvol, C. Radtke, F.C. Stedile, Appl. Phys. Lett. 90, 081906 (2007)
  • [6] Y. Aoki, H. Hirayama, Appl. Phys. Lett. 95, 094103 (2009)
  • [7] S. Nannarone, M. Pedio, Surf. Sci. Rep. 51, 1 (2003)
  • [8] K.C. Pandey, Phys. Rev. Lett. 49, 223 (1982)
  • [9] K. Heinz, J. Bernhardt, J. Schardt, U. Starke, J. Phys., Condens. Matter 16, S1705 (2004)
  • [10] D.G. Trabada, F. Flores, J. Ortega, Phys. Rev. B 80, 075307 (2009)
  • [11] P. Deák, B. Aradi, J.M. Knaup, Th. Frauenheim, Phys. Rev. B 79, 085314 (2009)
  • [12] R. Di Felice, C.M. Bertoni, C.A. Pignedoli, A. Catellani, Phys. Rev. Lett. 94, 116103 (2005)
  • [13] X. Peng, P. Krüger, J. Pollmann, Phys. Rev. B 72, 245320 (2005)
  • [14] H. Chang, J. Wu, B.-L. Gu, F. Liu, W. Duan, Phys. Rev. Lett. 95, 196803 (2005)
  • [15] R. Rurali, E. Wachowicz, P. Hyldgaard, P. Ordejón, Phys. Status Solidi (RRL) 2, 218 (2008)
  • [16] E. Wachowicz, A. Kiejna, J. Phys., Condens. Matter 24, 385801 (2012)
  • [17] J. Soler, E. Artacho, J.D. Gale, A. Garcia, J. Junquera, P. Ordejón, D. Sanchez-Portal, J. Phys., Condens. Matter 14, 2745 (2002)
  • [18] J.P. Perdew, K. Burke, M. Ernzerhof, Phys. Rev. Lett. 77, 3865 (1996)
  • [19] N. Troullier, J.L. Martins, Phys. Rev. B 43, 1993 (1991)
  • [20] J. Sołtys, J. Piechota, M. Łopuszyński, S. Krukowski, New J. Phys. 12, 043024 (2010)
Document Type
Publication order reference
YADDA identifier
bwmeta1.element.bwnjournal-article-appv124n502kz
Identifiers
JavaScript is turned off in your web browser. Turn it on to take full advantage of this site, then refresh the page.