Single Adatom Adsorption and Diffusion on Fe Surfaces
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Abstract
Using Embedded-atom-method (EAM) potential, we have performed in detail molecular dynamics studies on a Fe adatom adsorption and diffusion dynamics on three low miller index surfaces, Fe (110), Fe (001), and Fe (111). Our results present that adatom adsorption energies and diffusion barriers on these surfaces have similar monotonic trend: adsorption energies, <i>E<sub>a</sub></i>(110) < <i>E<sub>a</sub></i>(001) < <i>E<sub>a</sub></i>(111), diffusion barriers, <i>E<sub>d</sub></i>(110) <<i>E<sub>d</sub></i>(001) <<i>E<sub>d</sub></i>(111). On the Fe (110) surface, adatom simple jump is the main diffusion mechanism with relatively low energy barrier; nevertheless, adatoms exchange with surface atoms play a dominant role in surface diffusion on the Fe (001).
- H. Brune, “Microscopic View of Epitaxial Metal Growth: Nucleation and Aggregation,” Surface Science Reports, Vol. 31, No. 4-6, 1998, pp. 125-229. doi:10.1016/S0167-5729(99)80001-6
- G. Antczak and G. Ehrlich, “Jump Processes in Surface Diffu-sion,” Surface Science Reports, Vol. 62, No. 2, 2007, pp. 39-61. doi:10.1016/j.surfrep.2006.12.001
- J. A. Stroscio, D. T. Pierce and R. A. Dragoset, “Homoepitaxial Growth of Iron and a Real Space View of Reflec-tion-High-Energy-Electron Diffraction,” Physical Review Letters, Vol. 70, No. 23, 1993, pp. 3615-3618. doi:10.1103/PhysRevLett.70.3615
- J. A. Stroscio and D. T. Pierce, “Scaling of Diffusion-Mediated Island Growth in Iron-on-Iron Homoepitaxy,” Physical Review B, Vol. 49, No. 12, 1994, pp. 8522-8525. doi:10.1103/PhysRevB.49.8522
- P. J. Feibelman, “Scanning Tunneling Microscopy: Energetics from Statistical Analysis,” Physical Review B, Vol. 52, No. 16, 1995, pp. 12444-12446. doi:10.1103/PhysRevB.52.12444
- R. Pfandzelter, T. Igel and H. Winter, “Real-Time Study of Nucleation, Growth, and Ripening during Fe/Fe (100) Homoe-pitaxy Using Ion Scattering,” Physical Review B, Vol. 62, No. 4, 2000, pp. R2299-R2302. doi:10.1103/PhysRevB.62.R2299
- F. Dulot, B. Kierren and D. Malterre, “Determination of Kinetic Parameters in Layer-By-Layer Growth from RHEED Profile Analysis,” Thin Solid Films, Vol. 423, No. 1, 2003, pp. 64-69. doi:10.1016/S0040-6090(02)00990-2
- R. Zdyb, A. Pavlovska, M. Ja?ochowski and E. Bauer, “Self-Organized Fe Nanostructures on W (110),” Surface Science, Vol. 600, No. 8, 2006, pp.1586-1591. doi:10.1016/j.susc.2005.11.041
- P.-O. Jubert, O. Fruchart and C. Meyer, “Nucleation and Sur-face Diffusion in Pulsed Laser Deposition of Fe on Mo (110),” Surface Science, Vol. 522, No. 1-3, 2003, pp. 8-16. doi:10.1016/S0039-6028(02)02413-5
- I. V. Shvets, S. Murphy and V. Kalinin, “Nanowedge Island Formation on Mo (110),” Surface Science, Vol. 601, No. 15, 2007, pp. 3169-3178. doi:10.1016/j.susc.2007.05.013
- D. Spi?ák and J. Hafner, “Diffusion Mechanisms for Iron on Tungsten,” Surface Science, Vol. 584, No. 1, 2005, pp. 55-61.
- H. Chamati, N. I. Papanicolaou, Y. Mishin and D. A. Papa-constantopoulos, “Embedded-Atom Potential for Fe and Its Application to Self-Diffusion on Fe (100),” Surface Science, Vol. 600, No. 9, 2006, pp. 1793-1803.
- Y. N. Wen, J. M. Zhang and K. W. Xu, “Atomistic Simulation of the Self-Diffusion in Fe (111) Surface,” Surface Science, Vol. 253, No. 21, 2007, pp. 8620-8625. doi:10.1016/j.apsusc.2007.04.060