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利用分子动力学模拟了Au原子在Au（111）表面低能沉积的动力学过程. 采用嵌入原子方法的原子间相互作用势，通过对沉积层原子结构的分析和薄膜表面粗糙度、层覆盖率的计算，研究了沉积粒子能量对薄膜质量的影响及其机制. 结果表明：当入射能量Ein Ein≥ 25 eV 时，沉积层表面原子结构出现了较为明显的晶界，沉积原子注入到基体表面第三层及以下，随着入射能量的增加，薄膜表面粗糙度增加，沉积层和基体表层原子排列越不规则，载能沉积会降低基体内部的稳定性，导致基体和薄膜内部缺陷的产生，降低薄膜质量. 此外，当基体内部某层沉积原子数约等于该层总原子数的一半时，沉积原子将能穿过该层进入到基体内部更深层.The low-energy bombardment on Au (111) surface by Au atoms is studied by molecular dynamics (MD) simulation. The atomic interaction potential of embedded atom method is used in the simulation. The incident-energy effects on the morphologies and the surface roughness values of the deposited films are observed and summarized. The incident energy (Ein) varies from 0.1 eV to 50 eV. The transition of incident energy dependence occurs when the energy value is about 25 eV. The incident energy of about 25 eV is the sputtering threshold of Au (111) substrate. When the incident energy is lower than 25 eV, no atoms can be implanted into the depth beyond the second layer and all atoms are in face-centered cubic (111) arrangement without dislocation. The surface roughness decreases with the increase of the incident energy. For the case of Ein≥25 eV, the deposited atoms reach the third layer. When the number of atoms deposited in a substrate layer reaches about half the total number of atoms in this layer, the deposited atoms could go throgh this laer and enter into a deeper layer in the substrate. Surface roughness increases with the increase of the incident energy, and the energetic deposition can produce defects in both substrate and film.
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Keywords:
- incident energy /
- film growth /
- molecular dynamics
[1] Pagon A M, Partridge J G, Hubbard P, Taylor M B, McCulloch D G, Doyle E D, Latham K, Bradby J E, Borisenko K B, Li G 2010 Surf. Coat. Technol. 204 3552
[2] ElGaz H, Abdel-Rahman E, Salem H G, Nassar F 2010 Appl. Surf. Sci. 256 2056
[3] Zhao H W, Bie Q S, Du J, Lu M, Sui Y X, Zhai H R, Xia H 1997 Acta Phys. Sin. 46 2047 (in Chinese)[赵宏武, 别青山, 杜军, 鹿牧, 眭云霞, 翟宏如, 夏慧 1997 46 2047]
[4] Zhang C, L H F, Zhang Q Y 2002 Acta Phys. Sin. 51 2329 (in Chinese)[张超, 吕海峰, 张庆瑜 2002 51 2329]
[5] Chen M, Wei H L, Liu Z L, Yao K L 2001 Acta Phys. Sin. 50 2446 (in Chinese)[陈敏, 魏和林, 刘祖黎, 姚凯伦 2001 50 2446]
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[7] Zhang Q Y 1999 J. Dalian Univ. Tech. 39 730 (in Chinese) [张庆瑜 1999 大连理工大学学报 39 730]
[8] Ye Z Y, Zhang Q Y 2002 Acta Phys. Sin. 51 2798 (in Chinese)[叶子燕, 张庆瑜 2002 51 2798]
[9] Pereira Z S, Silva da E Z 2010 Phys. Rev. B 81 195417
[10] Hwang S F, Li Y H, Hong Z H 2012 Comput. Mater. Sci. 56 85
[11] Gong H F, Lu W, Wang L M, Li G P, Zhang S X 2012 Comput. Mater. Sci. 65 230
[12] Gong H F, Lu W, Wang L M, Li G P, Zhang S X 2012 J. Appl. Phys. 112 024903
[13] Hong Z H, Hwang S F, Fang T H 2010 Comput. Mater. Sci. 48 520
[14] Liu M L, Zhang Z N, Li W, Zhao Q, Qi Y, Zhang L 2009 Acta Phys. Sin. 58 S199 (in Chinese)[刘美林, 张宗宁, 李蔚, 赵骞, 祁阳, 张林 2009 58 S199]
[15] Jing X B, Liu Z L, Yao K L 2012 Appl. Surf. Sci. 258 2771
[16] Cao Y Z, Zhang J J, Sun T, Yan Y D, Yu F L 2010 Appl. Surf. Sci. 256 5993
[17] Zhang Y J, Dong G N, Mao H J, Xie Y B 2007 Chin. Sci. Bull. 52 2813 (in Chinese)[张宇军, 董光能, 毛军红, 谢友柏 2007 科学通报 52 2813]
[18] Huang X Y, Cheng X L, Xu J J, Wu W D 2012 Acta Phys. Sin. 61 096801 (in Chinese)[黄晓玉, 程新路, 徐嘉靖, 吴卫东 2012 61 096801]
[19] Huang X Y, Cheng X L, Xu J J, Wu W D 2012 Acta Phys. Sin. 61 016805 (in Chinese)[黄晓玉, 程新路, 徐嘉靖, 吴卫东 2012 61 016805]
[20] Yan C, Duan J H, He X D 2010 Acta Phys. Sin. 59 8807 (in Chinese)[颜超, 段军红, 何兴道 2010 59 8807]
[21] Yan C, L H F, Zhang C, Zhang Q Y 2006 Acta Phys. Sin. 55 1351 (in Chinese)[颜超, 吕海峰, 张超, 张庆瑜 2006 55 1351]
[22] Daw M S, Baskes M I 1984 Phys. Rev. B 29 6443
[23] Foiles S M, Baskes M I, Daw M S 1986 Phys. Rev. B 33 7983
[24] Swope W C, Andersen H C, Berens P H, Wilson K R 1982 J. Chem. Phys. 76 637
[25] Adamović D, Chirita V, Mnger E P, Hultman L, Greene J E 2007 Phys. Rev. B 76 115418
[26] Jing X B 2011 Ph. D. Dissertation (Wuhan: Huazhong University of Science and Technology) (in Chinese) [荆兴斌 2011 博士学位论文 (武汉: 华中科技大学)]
[27] Clavero C, Cebollada A, Armelles G, Fruchart O 2010 J. Magn. Magn. Mater. 322 647
[28] Singh R K, Naravan J 1990 Phys. Rev. B 41 8843
[29] Meyerheim H L, Przybylski M, Ernst A, Shi Y, Henk J, Soyka E, Kirschner J 2007 Phys. Rev. B 76 035425
[30] Lee S H, Kwak E H, Kim H S, Lee S W, Jeong G H 2013 Thin Solid Films 547 188
[31] Yan C, Zhang C, Zhang Q Y, Liu T W, Huang H 2009 Appl. Surf. Sci. 255 3875
-
[1] Pagon A M, Partridge J G, Hubbard P, Taylor M B, McCulloch D G, Doyle E D, Latham K, Bradby J E, Borisenko K B, Li G 2010 Surf. Coat. Technol. 204 3552
[2] ElGaz H, Abdel-Rahman E, Salem H G, Nassar F 2010 Appl. Surf. Sci. 256 2056
[3] Zhao H W, Bie Q S, Du J, Lu M, Sui Y X, Zhai H R, Xia H 1997 Acta Phys. Sin. 46 2047 (in Chinese)[赵宏武, 别青山, 杜军, 鹿牧, 眭云霞, 翟宏如, 夏慧 1997 46 2047]
[4] Zhang C, L H F, Zhang Q Y 2002 Acta Phys. Sin. 51 2329 (in Chinese)[张超, 吕海峰, 张庆瑜 2002 51 2329]
[5] Chen M, Wei H L, Liu Z L, Yao K L 2001 Acta Phys. Sin. 50 2446 (in Chinese)[陈敏, 魏和林, 刘祖黎, 姚凯伦 2001 50 2446]
[6] Colligon J S 1995 J. Vac. Sci. Technol. A 13 1649
[7] Zhang Q Y 1999 J. Dalian Univ. Tech. 39 730 (in Chinese) [张庆瑜 1999 大连理工大学学报 39 730]
[8] Ye Z Y, Zhang Q Y 2002 Acta Phys. Sin. 51 2798 (in Chinese)[叶子燕, 张庆瑜 2002 51 2798]
[9] Pereira Z S, Silva da E Z 2010 Phys. Rev. B 81 195417
[10] Hwang S F, Li Y H, Hong Z H 2012 Comput. Mater. Sci. 56 85
[11] Gong H F, Lu W, Wang L M, Li G P, Zhang S X 2012 Comput. Mater. Sci. 65 230
[12] Gong H F, Lu W, Wang L M, Li G P, Zhang S X 2012 J. Appl. Phys. 112 024903
[13] Hong Z H, Hwang S F, Fang T H 2010 Comput. Mater. Sci. 48 520
[14] Liu M L, Zhang Z N, Li W, Zhao Q, Qi Y, Zhang L 2009 Acta Phys. Sin. 58 S199 (in Chinese)[刘美林, 张宗宁, 李蔚, 赵骞, 祁阳, 张林 2009 58 S199]
[15] Jing X B, Liu Z L, Yao K L 2012 Appl. Surf. Sci. 258 2771
[16] Cao Y Z, Zhang J J, Sun T, Yan Y D, Yu F L 2010 Appl. Surf. Sci. 256 5993
[17] Zhang Y J, Dong G N, Mao H J, Xie Y B 2007 Chin. Sci. Bull. 52 2813 (in Chinese)[张宇军, 董光能, 毛军红, 谢友柏 2007 科学通报 52 2813]
[18] Huang X Y, Cheng X L, Xu J J, Wu W D 2012 Acta Phys. Sin. 61 096801 (in Chinese)[黄晓玉, 程新路, 徐嘉靖, 吴卫东 2012 61 096801]
[19] Huang X Y, Cheng X L, Xu J J, Wu W D 2012 Acta Phys. Sin. 61 016805 (in Chinese)[黄晓玉, 程新路, 徐嘉靖, 吴卫东 2012 61 016805]
[20] Yan C, Duan J H, He X D 2010 Acta Phys. Sin. 59 8807 (in Chinese)[颜超, 段军红, 何兴道 2010 59 8807]
[21] Yan C, L H F, Zhang C, Zhang Q Y 2006 Acta Phys. Sin. 55 1351 (in Chinese)[颜超, 吕海峰, 张超, 张庆瑜 2006 55 1351]
[22] Daw M S, Baskes M I 1984 Phys. Rev. B 29 6443
[23] Foiles S M, Baskes M I, Daw M S 1986 Phys. Rev. B 33 7983
[24] Swope W C, Andersen H C, Berens P H, Wilson K R 1982 J. Chem. Phys. 76 637
[25] Adamović D, Chirita V, Mnger E P, Hultman L, Greene J E 2007 Phys. Rev. B 76 115418
[26] Jing X B 2011 Ph. D. Dissertation (Wuhan: Huazhong University of Science and Technology) (in Chinese) [荆兴斌 2011 博士学位论文 (武汉: 华中科技大学)]
[27] Clavero C, Cebollada A, Armelles G, Fruchart O 2010 J. Magn. Magn. Mater. 322 647
[28] Singh R K, Naravan J 1990 Phys. Rev. B 41 8843
[29] Meyerheim H L, Przybylski M, Ernst A, Shi Y, Henk J, Soyka E, Kirschner J 2007 Phys. Rev. B 76 035425
[30] Lee S H, Kwak E H, Kim H S, Lee S W, Jeong G H 2013 Thin Solid Films 547 188
[31] Yan C, Zhang C, Zhang Q Y, Liu T W, Huang H 2009 Appl. Surf. Sci. 255 3875
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