Elastic interactions of Fe adatoms on Cu(111) at the mesoscale
作者： Wolfgang Kappus
DOI: 10.1016/J.SUSC.2019.121472
关键词: Diffusion (business) 、 Eigenvalues and eigenvectors 、 Free parameter 、 Mesoscale meteorology 、 Substrate (electronics) 、 Condensed matter physics 、 Brillouin zone 、 Anisotropy 、 First principle 、 Physics
摘要: Abstract An extended elastic eigenvector approach had earlier been developed to interpret ab-initio calculations of adatom interactions. It shows oscillating interactions as well trio- and quarto (multisite) terms within clusters. is now applied the interaction Fe adatoms on Cu(111). The differs from previous by using a sharp cutoff - generating taking into account interacting dimers strong anisotropies multisite terms. Additional weak anisotropy stems substrate surface Brillouin zone shape. This has 3 free parameters which have fitted first principles Elastic pair dimer-dimer at mesoscale separations show reasonable good fit At smaller values remain questionable. To enable comparison with future principle also dimer-monomer are shown. Some conclusions initial formation diffusion proposed open questions formulated.
harvard.edu
arxiv.org
sci-hub.se 参考文章(9)
K.H. Lau, W. Kohn, Elastic interaction of two atoms adsorbed on a solid surface Surface Science. ,vol. 65, pp. 607- 618 ,(1977) , 10.1016/0039-6028(77)90469-1
K.H. Lau, Anisotropic, long-range elastic interaction between adatoms Solid State Communications. ,vol. 28, pp. 757- 762 ,(1978) , 10.1016/0038-1098(78)91339-X
W. Kappus, Elastic interactions of adatoms or clusters on a surface: Effects due to anisotropy of the substrate and finite size of the clusters European Physical Journal B. ,vol. 29, pp. 239- 244 ,(1978) , 10.1007/BF01321188
Pierre Müller, Andrés Saúl, Elastic effects on surface physics Surface Science Reports. ,vol. 54, pp. 157- 258 ,(2004) , 10.1016/J.SURFREP.2004.05.001
R C Longo, V S Stepanyuk, J Kirschner, Elastic adsorbate interactions at the mesoscale Journal of Physics: Condensed Matter. ,vol. 18, pp. 9143- 9149 ,(2006) , 10.1088/0953-8984/18/40/001
Per Hyldgaard, Mats Persson, Long-ranged adsorbate-adsorbate interactions mediated by a surface-state band Journal of Physics: Condensed Matter. ,vol. 12, ,(2000) , 10.1088/0953-8984/12/1/103
R. C. Longo, V. S. Stepanyuk, W. Hergert, A. Vega, L. J. Gallego, J. Kirschner, Interface intermixing in metal heteroepitaxy on the atomic scale Physical Review B. ,vol. 69, pp. 073406- ,(2004) , 10.1103/PHYSREVB.69.073406
Wolfgang Kappus, Lattice-gas Hamiltonian revisited: O-Pd(100) Surface Science. ,vol. 691, pp. 121444- ,(2020) , 10.1016/J.SUSC.2019.04.009
T.L. Einstein, Chapter 11 – Interactions Between Adsorbate Particles Handbook of Surface Science. ,vol. 1, pp. 577- 650 ,(1996) , 10.1016/S1573-4331(96)80016-3