Diffusion of Six-Atom Cu Islands on Cu(111) and Ag(111)
Sardar Sikandar Hayat1**, I. Ahmad1, M. Arshad Choudhry2
1Department of Physics and Astronomy, Hazara University, Mansehra 23100, Pakistan 2Department of Physics, The Islamia University of Bahawalpur, Bahawalpur 63120, Pakistan
Diffusion of Six-Atom Cu Islands on Cu(111) and Ag(111)
Sardar Sikandar Hayat1**, I. Ahmad1, M. Arshad Choudhry2
1Department of Physics and Astronomy, Hazara University, Mansehra 23100, Pakistan 2Department of Physics, The Islamia University of Bahawalpur, Bahawalpur 63120, Pakistan
摘要Diffusion of Cu hexamer islands on Cu(111) and Ag(111) is studied using a molecular dynamics simulation technique with many-body potentials obtained from the embedded atom method. Simulations are carried out at temperatures 300, 500 and 700 K, showing that shape-changing multiple-atom processes are more helpful for the diffusion rather than concerted motion of islands. Arrhenius plots of the diffusion coefficients provide effective energy barrier values of 161.29±5 meV for Cu(111) and 179.34±5 meV for Ag(111) surfaces. At 700 K, one pop-up atom among island atoms is observed with correlative changes in the position and shape of the lower-layer adatoms.
Abstract：Diffusion of Cu hexamer islands on Cu(111) and Ag(111) is studied using a molecular dynamics simulation technique with many-body potentials obtained from the embedded atom method. Simulations are carried out at temperatures 300, 500 and 700 K, showing that shape-changing multiple-atom processes are more helpful for the diffusion rather than concerted motion of islands. Arrhenius plots of the diffusion coefficients provide effective energy barrier values of 161.29±5 meV for Cu(111) and 179.34±5 meV for Ag(111) surfaces. At 700 K, one pop-up atom among island atoms is observed with correlative changes in the position and shape of the lower-layer adatoms.
Sardar Sikandar Hayat**;I. Ahmad;M. Arshad Choudhry
. Diffusion of Six-Atom Cu Islands on Cu(111) and Ag(111)[J]. 中国物理快报, 2011, 28(5): 53601-053601.
Sardar Sikandar Hayat**, I. Ahmad, M. Arshad Choudhry
. Diffusion of Six-Atom Cu Islands on Cu(111) and Ag(111). Chin. Phys. Lett., 2011, 28(5): 53601-053601.
[1] Kim M, Anthony S M and Granick S 2009 Phys. Rev. Lett. 102 178303
[2] Ogura S and Fukutani K 2008 J. Phys.: Conf. Ser. 100 072003
[3] Paredis K, Smeets D and Vantomme A 2009 Nanoscale Res. Lett. 3 9418
[4] Hayat S S, Choudhry M A and Ahmad S A 2008 J. Mater. Sci. 43 4915
[5] Park H S, Gall K and Zimmerman J A 2006 Mech. Phys. Solids 54 1862
[6] Halicioglu T and Pound G M 1979 Thin Solid Films 57 241
[7] Montalenti F and Ferrando R 1999 Phys. Rev. B 59 5881
[8] Linderoth T R, Horch S, Petersen L, Helveg S, Schoenning M, Laegsgaard E, Stensgaard I and Besenbacher F 2000 Phys. Rev . B 61 R2448
[9] Marinica M-C, Barreteau C, Desjonquères M-C and Spanjaard D 2004 Phys. Rev. B 70 075415
[10] Marinica M C, Barreteau C, Spanjaard D and Desjonqueres M C 2005 Phys. Rev. B 72 115402
[11] Al-Rawi A N 2000 PhD Dissertation (Kansas State University)
[12] Kong L T and Lewis L J 2006 Phys. Rev. B 74 073412
[13] Bulou H and Massobrio C 2005 Phys. Rev. B 72 205427
[14] Shim Y and Amar J G 2006 Phys. Rev . B 73 035423
[15] Chen D, Hu W, Yang J and Sun L 2007 J. Phys.: Condens. Matter 19 446009
[16] Busse C, Polop C, Müller M, Albe K, Linke U and Michely T 2003 Phys. Rev. Lett. 91 056103
[17] Polop C, Lammerschop A, Busse C and Michely T 2005 Phys. Rev. B 71 125423
[18] Gong X F, Hu B, Ning X J and Zhuang J 2005 Thin Solid Films 493 146
[19] Goyhenex C 2006 Surf. Sci. 600 15
[20] Cagin T, Dereli G, Uludogan M and Tomak M 1999 Phys. Rev. B 59 3468
[21] Daw M S and Baskes M I 1984 Phys. Rev. B 29 6443
[22] Oh D J and Johnson R A 1988 J. Mater. Res. 3 471
[23] Foiles S M, Baskes M I and Daw M S 1986 Phys. Rev. B 33 7983
[24] Nordsieck A 1962 Math. Comput. 16 22
[25] Hayat S S, Alcántara Ortigoza M, Choudhry M A and Rahman T S 2010 Phys. Rev. B 82 085405
[26] Hayat S S 2011 Computat. Mater. Sci. 50 1485
[27] Hussain F, Hayat S S and Imran M 2011 Physica B 405 1060
[28] Fletcher R 1972 A FORTRAN Subroutine for Minimization by the Method of Conjugate Gradients (AERE-R7073)
[29] Ortigoza M A 2007 PhD Dissertation (Kansas State University)
[30] Bocquet F, Maurel C, Roussel J M, Abel M, Koudia M and Porte L 2005 Phys. Rev. B 71 075405
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