中国物理B ›› 2012, Vol. 21 ›› Issue (2): 27104-027104.doi: 10.1088/1674-1056/21/2/027104
汤沛哲1,刘海涛2,朱洁3,王山鹰1,段文晖1
收稿日期:
2011-07-06
修回日期:
2011-09-06
出版日期:
2012-01-30
发布日期:
2012-01-30
通讯作者:
刘海涛,liu_haitao@iapcm.ac.cn
E-mail:liu_haitao@iapcm.ac.cn
Tang Pei-Zhe(汤沛哲)a), Liu Hai-Tao(刘海涛) b)†, Zhu Jie(朱洁)c), Wang Shan-Ying(王山鹰)a), and Duan Wen-Hui(段文晖)a)
Received:
2011-07-06
Revised:
2011-09-06
Online:
2012-01-30
Published:
2012-01-30
Contact:
Liu Hai-Tao,liu_haitao@iapcm.ac.cn
E-mail:liu_haitao@iapcm.ac.cn
Supported by:
中图分类号: (Density functional theory, local density approximation, gradient and other corrections)
汤沛哲, 刘海涛, 朱洁, 王山鹰, 段文晖. [J]. 中国物理B, 2012, 21(2): 27104-027104.
Tang Pei-Zhe(汤沛哲), Liu Hai-Tao(刘海涛), Zhu Jie(朱洁), Wang Shan-Ying(王山鹰), and Duan Wen-Hui(段文晖) . Role of Ga-doping in iron–gallium alloy clusters[J]. Chin. Phys. B, 2012, 21(2): 27104-027104.
[1] | Wilcoxon J P and Abrams B L 2006 emphChem. Soc. Rev. 35 1162 |
[2] | Ferrando R, Jellinek J and Johnston R L 2008 emphChem. Rev. 108 845 |
[3] | Bracey C L, Ellis P R and Hutchings G J 2009 emphChem. Soc. Rev. 38 2231 |
[4] | Yin S, Moro R, Xu X and de Heer W A 2007 emphPhys. Rev. Lett. 98 113401 |
[5] | Tarakeshwar P, Kumar T J D and Balakrishnan N 2009 emphJ. Chem. Phys. 130 114301 |
[6] | Peng D L, Hihara T and Sumiyama K 2003 emphAppl. Phys. Lett. 83 350 |
[7] | Mattei G, Mazzoldi P and Bernas H 2010 emph“Metal Nanoclusters for Optical Properties”. In emphMaterials Science with Ion Beams ed. Bernas H (Berlin: Springer-Verlag) |
[8] | Cottancin E, Lermé J, Gaudry M, Pellarin M, Vialle J-L, Broyer M, Prével B, Treilleux M and Mélinon P 2000 emphPhys. Rev. B 62 5179 |
[9] | Wang S Y, Duan W H and Wang C Y 2002 emphJ. Phys. B: At. Mol. Opt. Phys. 35 4015 |
[10] | Chrétien S, Gordon M S and Metiu H 2004 emphJ. Chem. Phys. 121 9931 |
[11] | Mu noz-Navia M, Dorantes-Dávila J, Zitoun D, Amiens C, Jaouen N, Rogalev A, Respaud M and Pastor G M 2009 emphAppl. Phys. Lett. 95 233107 |
[12] | Zhang M, Feng X J, Zhao L X, He L M and Luo Y H 2010 emphChin. Phys. B 19 043103 |
[13] | Sun S H, Murray C B, Weller D, Folks L and Moser A 2000 emphScience 287 1989 |
[14] | Clark A E, Restorff J B, Wun-Fogle M, Lograsso T A and Schlagel D L 2000 emphIEEE Trans. Magn. 36 3238 |
[15] | Guruswamy S, Srisukhumbowornchai N, Clark A E, Restorff J B and Wun-Fogle M 2000 emphScr. Mater. 43 239 |
[16] | McGary P D, Tan L, Zou J, Stadler B J H, Downey P R and Flatau A B 2006 emphJ. Appl. Phys. 99 08B310 |
[17] | Ueno T, Summers E, Wun-Fogle M and Higuchi T 2008 emphSens. Actuators A 148 280 |
[18] | Wu R Q 2002 emphJ. Appl. Phys. 91 7358 |
[19] | Zhang Y N, Cao J X and Wu R Q 2010 emphAppl. Phys. Lett. 96 062508 |
[20] | Wang H, Zhang Y N, Yang T, Zhang Z D, Sun L Z and Wu R Q 2010 emphAppl. Phys. Lett. 97 262505. |
[21] | Ruffoni M P, Pascarelli S, Grössinger R, Sato Turtelli R, Bormio-Nunes C and Pettifer R F 2008 emphPhys. Rev. Lett. 101 147202 |
[22] | Zheng L, Jiang C B, Shang J X and Xu H B 2009 emphChin. Phys. B 18 1647 |
[23] | Cao H, Gehring P M, Devreugd C P, Rodriguez-Rivera J A, Li J and Viehland D 2009 emphPhys. Rev. Lett. 102 127201 |
[24] | Du Y, Huang M, Chang S, Schlagel D L, Lograsso T A and McQueeney R J 2010 emphPhys. Rev. B 81 054432 |
[25] | Reddy B V, Deevi S C, Lilly A C and Jena P 2001 emphJ. Phys.: Condens. Matter 13 8363 |
[26] | Delley B 1990 emphJ. Chem. Phys. 92 508 |
[27] | Perdew J P and Wang Y 1992 emphPhys. Rev. B 45 13244 |
[28] | Chrétien S and Salahub D R 2002 emphPhys. Rev. B 66 155425 |
[29] | vSljivanvcanin vZ and Pasquarello A 2003 emphPhys. Rev. Lett. 90 247202 |
[30] | Gutsev G L and Bauschlicher Jr C W 2003 emphJ. Phys. Chem. A 107 7013 |
[31] | Roy D R, Robles R and Khanna S N 2010 emphJ. Chem. Phys. 132 194305 |
[32] | Rollmann G, Entel P and Sahoo S 2006 emphComput. Mater. Sci. 35 275 and references therein |
[33] | Cheng Z D, Ling T and Zhu J 2010 emphChin. Phys. B 19 057101 |
[34] | Sakurai M, Watanabe K, Sumiyama K and Suzuki K 1999 emphJ. Chem. Phys. 111 235 |
[35] | Dunlap B I 1990 emphPhys. Rev. A 41 5691 |
[36] | Bobadova-Parvanova P, Jackson K A, Srinivas S and Horoi M 2002 emphPhys. Rev. B 66 195402 |
[37] | Song B and Cao P L 2005 emphJ. Chem. Phys. 123 144312 |
[38] | Sharma B D and Dohohue J 1962 emphZeitschrift für Kristallographie 117 293 |
[39] | Diéguez O, Alemany M M G, Rey C, Ordejón P and Gallego L J 2001 emphPhys. Rev. B 63 205407 |
[40] | Sun Q, Gong X G, Zheng Q Q and Wang G H 1996 emphActa Phys. Sin. 45 1146 (in Chinese) |
[41] | Chen H, Yuan H K, Kuang A L, Miao Y, Chen P and Xiong Z H 2008 emphPhys. Rev. B 77 184429 |
[42] | Aguilera-Granja F and Vega V 2009 emphPhys. Rev. B 79 144423 |
[43] | Sahoo S, Hucht A, Gruner M E, Rollmann G, Entel P, Postnikov A, Ferrer J, Fernández-Seivane L, Richter M, Fritsch D and Sil S 2010 emphPhys. Rev. B 82 054418 |
[44] | Aldred A T 1966 emphJ. Appl. Phys. 37 1344 |
[45] | Srisukhumbowornchai N and Guruswamy N 2001 emphJ. Appl. Phys. 90 5680 |
[46] | Khmelevska T, Khmelevskyi S and Mohn P 2008 emphJ. Appl. Phys. 103 073911 |
[47] | Hirshfeld F L 1977 emphTheor. Chim. Acta B 44 129 |
[48] | Mulliken R S 1955 emphJ. Chem. Phys. 23 1833 |
[49] | Guerra C F, Handgraaf J W, Baerends E J and Bickelhaupt F M 2004 emphJ. Comput. Chem. 25 189 |
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