| [ 1 ] 王广厚(Wang G H) . 物理学进展(Progress in Physics) , 1994 ,14(2) : 121 —168
[ 2 ] 王广厚(Wang G H) . 物理学进展(Progress in Physics) , 2000 ,20(3) : 251 —275
[ 3 ] 潘必才(Pan B C) . 物理学报(Acta Physica Sinica) , 2001 , 50(2) : 268 —272
[ 4 ] Alder B J , Wainwright T E. J . Chem. Phys. , 1957 , 27 : 1208 —1209
[ 5 ] Allen M D , Tildesley D J . Computer Simulation of Liquid.Oxford : Clarendon Press , 1987
[ 6 ] Rahman A , Stillinger F H. J . Chem. Phys. , 1971 , 55 : 3336 —3359
[ 7 ] Alder B J , Wainwright T E. J . Chem. Phys. , 1959 , 31 : 459 —466
[ 8 ] Alder B J , Wainwright T E. Phys. Rev. , 1962 , 127 : 359 —361
[ 9 ] Rahman A. Phys. Rev. A , 1964 , 136 : 405 —411
[10] Weins M J . Surf . Sci . , 1972 , 31 : 138 —160
[11] Kang J W, Hwang H J , Song K O , et al . J . Korean Phys. Soc. ,2003 , 43 (4) : 534 —539
[12] Hodak M, Girifalco L A. Chem. Phys. Lett . , 2001 , 350 : 405 —411
[13] Cotterill R M J , Doyama M. Lattice Defects and Their Interactions ( ed. Hasiguti R) . New York : Gordon and Breach Science Publishers Inc. , 1967. 62 —75
[14] Girifalco L A , Weizer G V. Phys. Rev. , 1959 , 114 : 687 —690
[15] Johnson R A , Wilson W D. Interatomic Potential and Simulation of Lattice Defects (eds. Gehlen P C , et al ) . New York : Plenum,1971. 301 —305
[16] Roy D , Manna A , Gupta S P S. J . Phys. F : Metal Phys. , 1974 ,4 : 2145 —2151
[17] 冯端等( Feng D , et al . ) . 金属物理学第一卷:结构与缺陷(Metal Physics V. 1 : Structures and Defects) . 北京(Beijing) :科学出版社(Science Press) , 2000. 31 —76
[18] Archer T D , Birse S E A , Dove M T , et al . Phys. Chem.Minerals , 2003 , 30 : 416 —424
[19] Dove M T , Winkler B , Leslie M, et al . Am. Mineral , 1992 , 77 :244 —250
[20] Perera L , Berkowitz M L. J . Chem. Phys. , 1991 , 95 : 1954 —1963
[21] Stillinger F H , Weber T A. Phys. Rev. B , 1985 , 31 : 5262 —5271
[22] Katircioglu S , Salman S A , Erkoc S. Int . J . Mod. Phys. C ,2000 , 11 (5) : 999 —1011
[23] Erkoc S , Amirouche L , Rouaiguia L. Int . J . Mod. Phys. C ,2002 , 13 (6) : 759 —769
[24] Takai T , Lee C , Halicioglu T , et al . J . Phys. Chem. , 1990 ,94 : 4480 —4482
[25] Erkoc S. Int . J . Mod. Phys. C , 2000 , 11 (3) : 547 —551
[26] Erkoc S , Malcioglu O B. Int . J . Mod. Phys. C , 2001 , 12 (6) :865 —870
[27] Erkoc S , Vural D C. Int . J . Mod. Phys. C , 2001 , 12 (5) :685 —690
[28] Erkoc S. Int . J . Mod. Phys. C , 2001 , 12 (9) : 1391 —1399
[29] Erkoc S. Int . J . Mod. Phys. C , 2000 , 11 (6) : 1247 —1255
[30] Erkoc S , Malcioglu O B. Int . J . Mod. Phys. C , 2002 , 13 (3) :367 —373
[31] Erkoc S. Nano Letters , 2002 , 2 (3) : 215 —217
[32] Daw M S , Baskes M I. Phys. Rev. B , 1984 , 29 (12) : 6443 —6453
[33] Gupta R P. Phys. Rev. B , 1981 , 23 : 6265 —6270
[34] Cleri F , Rosato V. Phys. Rev. B , 1993 , 48 (1) : 22 —33
[35] Turner G W, Johnston R L , Wilson N T. J . Chem. Phys. ,2000 , 112 (10) : 4773 —4778
[36] Darby S , Mortimer-Jones T V , Johnston R L , et al . J . Chem.Phys. , 2002 , 116 (4) : 1536 —1550
[37] Gunes P , Simsek S , Erkoc S. Int . J . Mod. Phys. C , 2000 , 11(3) : 451 —467
[38] Tersoff J . Phys. Rev. Lett . , 1984 , 56 : 632 —635
[39] Tersoff J . Phys. Rev. Lett . , 1988 , 61 : 2879 —2882
[40] Tersoff J . Phys. Rev. B , 1988 , 37 : 6991 —7000
[41] Brenner D W. Phys. Rev. B , 1990 , 42 (15) : 9458 —9471
[42] Kroto H W, Heath J R. Nature , 1985 , 318 : 162 —163
[43] Iijima S. Nature , 1991 , 354 : 56 —58
[44] Iijima S , Ichihashi T. Nature , 1993 , 363 : 603 —605
[45] Bethune D S , Kiang C H , Devries M S , et al . Nature , 1993 ,363 : 605 —607
[46] Brenner D W, Shenderova O A , Harrison J A , et al . J . Phys. ,Condens. Matter , 2002 , 14 : 783 —802
[47] Ponomareva I V , Chernozatonskii L A. Microelectron. Eng. ,2003 , 69 (2/4) : 625 —628
[48] Car R , Parrinello M. Phys. Rev. Lett . , 1985 , 17 (55) : 2471 —2474
[49] Bertolus M, Finocchi F , Millie P. J . Chem. Phys. , 2004 ,120(9) : 4333 —4343
[50] Ye L H , Liu B G, Wang D S. Chinese Phys. Lett . , 2001 , 18(11) : 1496 —1499
[51] Methfessel M, van Schilfgaarde M. Phys. Rev. B , 1993 , 48(7) : 4937 —4940
[52] Anderson O K, Wooley R G. Mol . Phys. , 1973 , 26 : 905 —927
[53] Anderson O K. Phys. Rev. B , 1975 , 12 : 3060 —3083
[54] Skriver H L. The LMTO Method. Berlin : Springer , 1984
[55] Springborg M, Anderson O K. J . Chem. Phys. , 1987 , 87 :7125 —7145
[56] Li B X, Cao P L , Liang F S. Physica B , 2003 , 337 (1/4) : 69 —78
[57] Kabir M, Mookerjee A , Datta R P , et al . Int . J . Mod. Phys. B ,2003 , 17 (10) : 2061 —2075
[58] Li B X, Jiang M, Cao P L. J . Phys. , Condens. Matter , 1999 ,11 (43) : 8517 —8521
[59] Sutton A P , Finnis M W, Pettifor D G, et al . J . Phys. C , 1988 ,21 : 35 —66
[60] Xu C H , Wang C Z , Chan C T , et al . J . Phys. , Condens.Matter , 1992 , 4 : 6047 —6054
[61] Volpe M, Cleri F. Surf . Sci . , 2003 , 544 (1) : 24 —34
[62] Liu B , Jiang H , Johnson H T , et al . J . Mech. Phys. Solids ,2004 , 52 (1) : 1 —26
[63] Kwon I , Biswas R , Wang C Z. Phys. Rev. B , 1994 , 49 :7242 —7250
[64] Li Q M, Biswas R. Phys. Rev. B , 1994 , 50 : 18090 —18097
[65] Luo C. Mater. Sci . Eng. , 1998 , 6 : 603 —606
[66] Rosato V , Guillope M, Legrand B. Phil . Mag. A , 1989 , 59 :321 —336
[67] Loisel B , Gorse D , Pontikis V. Surf . Sci . , 1989 , 221 : 365 —378
[68] Niesse J A , Mayne H R. J . Comp. Chem. , 1997 , 18 : 1233 —1244
[69] Wales D J , Doye J P K. J . Phys. Chem. A , 1997 , 101 (28) :5111 —5116
[70] Wales D J , Scherage H A. Science , 1999 , 285 (5432) : 1368 —1372
[71] Cai W S , Shao X G. J . Comput . Chem. , 2002 , 23 (4) : 427 —435
[72] Cai W S , Feng Y, Shao X G, et al . J . Mol . Struct .-Theochem,2002 , 579 (1/3) : 229 —234
[73] Cai W S , Jiang H Y, Shao X G. J . Chem. Inf . Comp. Sci . ,2002 , 42 (5) : 1099 —1103
[74] Jiang H Y, Cai W S , Shao X G. Phys. Chem. Chem. Phys. ,2002 , 4 (19) : 4782 —4788
[75] Shao X G, Jiang H Y, Cai W S. J . Chem. Inf . Comp. Sci . ,2004 , 44 (1) : 193 —199
[76] Xiang Y H , Jiang H Y, Cai W S , Shao X G. J . Phys. Chem.A , 2004 , 108 (16) : 3586 —3592
[77] Shao X G, Cheng L J , Cai W S. J . Comput . Chem. , 2004 , 25(14) : 1693 —1698
[78] Girifalco L A. J . Phys. Chem. , 1992 , 96 : 858 —861
[79] Rey C , Garcia-Rodeja J , Gallego L J . Z. Phys. D , 1997 , 40 :395 —398
[80] Cai W S , Feng Y, Shao X G, et al . Chem. Phys. Lett . , 2002 ,359 (1/2) : 27 —34
[81] Yamaguchi Y, Maruyama S. Chem. Phys. Lett . , 1998 , 286 :336 —342
[82] Irle S , Zheng G S , Elstner M, et al . Nano Lett . , 2003 , 3 (4) :465 —470
[83] Zhang B L , Wang C Z , Ho K M, et al . J . Chem. Phys. , 1992 ,97 : 5007 —5011
[84] Zhang B L , Wang C Z , Ho K M, et al . J . Chem. Phys. , 1993 ,98 : 3095 —3102
[85] Xu C H , Scuseria G E. Chem. Phys. Lett . , 1996 , 262 : 219 —226
[86] Shibuta Y, Maruyama S. Physica B , 2002 , 323 : 187 —189
[87] 李琰(Li Y) ,朱长纯(Zhu C C) ,姚振华( Yao Z H) . 微细加工技术(Microfabrication Technology) , 2003 , 1 : 9 —14
[88] Dereli G, Ozdogan C. Phys. Rev. B , 2003 , 67 (3) : 035415
[89] Hamada N , Sawada S , Oshiyama A. Phys. Rev. Lett . , 1992 , 68(10) : 1579 —1581
[90] Menon M, Srivastava D. Phys. Rev. Lett . , 1997 , 79 ( 22) :4453 —4456
[91] Brandbyge M, Mozos J L , Ordejon P , et al . Phys. Rev. B ,2002 , 65 (16) : 165401
[92] da Silva L B , Fagan S B , Mota R. Nano Lett . , 2004 , 4 (1) :65 —67
[93] Ren S Y, Dow J D. Phys. Rev. B , 1992 , 45 (12) : 6492 —6496
[94] Hill N A , Whaley K B. J . Chem. Phys. , 1994 , 100 ( 4) :2831 —2837
[95] Lin Y L , Nori F. Phys. Rev. B , 1994 , 49 (7) : 5020 —5023
[96] Zhou L G, Shi S Q. Comp. Mater. Sci . , 2002 , 23 ( 1/4) :166 —174
[97] Gu C , Gao G H , Yu Y X, et al . Fluid Phase Equilibr. , 2002 ,194 : 297 —307
[98] Maiti A. CMES-Comp. Model . Eng. Sci . , 2002 , 3 (5) : 589 —599
[99] Han J , Globus A , Jaffe R , et al . Nanotechnology , 1997 , 8 :95 —102
[100] Menon M, Connolly J , Lathiotakis N , et al . Phys. Rev. B ,1994 , 50 (12) : 8903 —8906
[101] Feng Y P , Ong C K, Poon H C , et al . J . Phys. , Condens.Matter , 1997 , 9 : 4345 —4364 |
