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The ground-state structures and energies of the bimetallic clusters ConCu55－n(n=0—55) were obtained by using the semi-empirical Gupta potential combined with a genetic algorithm. The ground-state geometries of those bimetallic clusters can be characterized by the basic Mackay icosahedron of the pure Co55 (Cu55) cluster. Beginning with n=0 (Cu55), the Cu atom(s) is(are) replaced in order and continuously by the Co atom(s) from the center to the surface and from the edge to the vertex. The ground-state structure depends on the number of the Co—Co bonds which have the largest energy, the number of the Co-Cu bonds with large energy and the average bond length of those bonds. Co13Cu42 is a magic cluster with an icosahedral core formed by 13 Co atoms, which plays a key role in the high stability of those bimetallic clusters.
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Keywords:
- clusters /
- structure and energy /
- Gupta potential /
- genetic algorithm
[1] Ruette F, González C 2002 Chem. Phys. Lett. 359 428
[2] Wang J L, Zhao J J, Ding F, Shen W F, Lee H, Wang G H 2001 Solid State Commun. 117 593
[3] Cheng D J, Huang S P, Wang W C 2006 Chem. Phys. 330 423
[4] Deaven D M, Ho K M 1995 Phys. Rev. Lett. 75 288
[5] Zeiri Y 1997 Comput. Phys. Commun. 103 28
[6] Yang Q W, Zhu R Z 2005 Acta Phys. Sin. 54 4245(in Chinese) [杨全文、朱如曾 2005 54 4245]
[7] Li G P, Zhang M L 2005 Acta Phys. Sin. 54 2873 (in Chinese) [李公平、张梅玲 2005 54 2873]
[8] Wang H Y, Li X B, Tang Y J, Chen X H, Wang C Y, Zhu Z H 2005 Acta Phys. Sin. 54 3565 (in Chinese) [王红艳、李喜波、唐永建、谌晓洪、王朝阳、朱正和 2005 54 3565]
[9] Wang Q L, Ge G X, Zhao W J, Lei X L, Yan Y L, Yang Z, Luo Y H 2007 Acta Phys. Sin. 56 3219 (in Chinese) [王清林、葛桂贤、赵文杰、雷雪玲、闫玉丽、杨 致、罗有华 2007 56 3219]
[10] Grigoryan V G, Alamanova D, Springborg M 2006 Phys. Rev. B 73 115415
[11] Rodríguez-López J L, Aguilera-Granja F, Michaelian K, Vega A 2003 Phys. Rev. B 67 174413
[12] Ge Z G, Li G P, Pan X D 2008 Chin. Phys. B 17 3329
[13] Li G J, Wang Q, Li H T, Wang K, He J C 2008 Chin. Phys. B 17 3343
[14] Wu Z M, Wang X Q, Yang Y Y 2007 Chin. Phys. 16 0405
[15] Ren F Z, Wang Y X, Zhang G B, Wei S K, Luo Y H 2009 Chin. Phys. B 18 1491
[16] Liu J T, Duan H M 2009 Acta Phys. Sin. 58 4826 (in Chinese) [刘建廷、段海明 2009 58 4826]
[17] Sondón T, Guevara J, Saúl A 2007 Phys. Rev. B 75 104426
[18] Feng C J, Xue Y H, Zhang X Y, Zhang X C 2009 Chin. Phys. B 18 1436
[19] Wang H Y, Li X B, Tang Y J, King R B, Schaefer H F 2007 Chin. Phys. 16 1660
[20] Cleri F, Rosato V 1993 Phys. Rev. B 48 22
[21] Darby S, Mortimer-Jones T V, Johnston R L, Roberts C 2002 J. Chem. Phys. 116 1536
[22] Mazzone G, Rosato V, Pintore M, Delogu F, Demontis P, Suffritti G B 1997 Phys. Rev. B 55 837
[23] Hristova E, Dong Y, Grigoryan V G, Springborg M 2008 J. Phys. Chem. A 112 7905
[24] Hristova E, Grigoryan V G, Springborg M 2008 J. Chem. Phys. 128 244513
[25] Cheng D, Huang S, Wang W 2006 Eur. Phys. J. D 39 41
[26] Zhang M, Fournier R 2006 J. Mol. Struct. 762 49
[27] Hsu P J, Lai S K 2006 J. Chem. Phys. 124 044711
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[1] Ruette F, González C 2002 Chem. Phys. Lett. 359 428
[2] Wang J L, Zhao J J, Ding F, Shen W F, Lee H, Wang G H 2001 Solid State Commun. 117 593
[3] Cheng D J, Huang S P, Wang W C 2006 Chem. Phys. 330 423
[4] Deaven D M, Ho K M 1995 Phys. Rev. Lett. 75 288
[5] Zeiri Y 1997 Comput. Phys. Commun. 103 28
[6] Yang Q W, Zhu R Z 2005 Acta Phys. Sin. 54 4245(in Chinese) [杨全文、朱如曾 2005 54 4245]
[7] Li G P, Zhang M L 2005 Acta Phys. Sin. 54 2873 (in Chinese) [李公平、张梅玲 2005 54 2873]
[8] Wang H Y, Li X B, Tang Y J, Chen X H, Wang C Y, Zhu Z H 2005 Acta Phys. Sin. 54 3565 (in Chinese) [王红艳、李喜波、唐永建、谌晓洪、王朝阳、朱正和 2005 54 3565]
[9] Wang Q L, Ge G X, Zhao W J, Lei X L, Yan Y L, Yang Z, Luo Y H 2007 Acta Phys. Sin. 56 3219 (in Chinese) [王清林、葛桂贤、赵文杰、雷雪玲、闫玉丽、杨 致、罗有华 2007 56 3219]
[10] Grigoryan V G, Alamanova D, Springborg M 2006 Phys. Rev. B 73 115415
[11] Rodríguez-López J L, Aguilera-Granja F, Michaelian K, Vega A 2003 Phys. Rev. B 67 174413
[12] Ge Z G, Li G P, Pan X D 2008 Chin. Phys. B 17 3329
[13] Li G J, Wang Q, Li H T, Wang K, He J C 2008 Chin. Phys. B 17 3343
[14] Wu Z M, Wang X Q, Yang Y Y 2007 Chin. Phys. 16 0405
[15] Ren F Z, Wang Y X, Zhang G B, Wei S K, Luo Y H 2009 Chin. Phys. B 18 1491
[16] Liu J T, Duan H M 2009 Acta Phys. Sin. 58 4826 (in Chinese) [刘建廷、段海明 2009 58 4826]
[17] Sondón T, Guevara J, Saúl A 2007 Phys. Rev. B 75 104426
[18] Feng C J, Xue Y H, Zhang X Y, Zhang X C 2009 Chin. Phys. B 18 1436
[19] Wang H Y, Li X B, Tang Y J, King R B, Schaefer H F 2007 Chin. Phys. 16 1660
[20] Cleri F, Rosato V 1993 Phys. Rev. B 48 22
[21] Darby S, Mortimer-Jones T V, Johnston R L, Roberts C 2002 J. Chem. Phys. 116 1536
[22] Mazzone G, Rosato V, Pintore M, Delogu F, Demontis P, Suffritti G B 1997 Phys. Rev. B 55 837
[23] Hristova E, Dong Y, Grigoryan V G, Springborg M 2008 J. Phys. Chem. A 112 7905
[24] Hristova E, Grigoryan V G, Springborg M 2008 J. Chem. Phys. 128 244513
[25] Cheng D, Huang S, Wang W 2006 Eur. Phys. J. D 39 41
[26] Zhang M, Fournier R 2006 J. Mol. Struct. 762 49
[27] Hsu P J, Lai S K 2006 J. Chem. Phys. 124 044711
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