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56 POINT DEFECT MOVEMENT AND ANNEALING IN .. 2431 and Au,and the results in the diamond-structured Si.we The research was supported by the U.S.Department of En- attributed the difference in damage production in the two ergy,Basic Energy Sciences under Grant No.DEFG02- kinds of solids to be due to the nature of bonding. 91ER45439,and by the Academy of Finland and University of Helsinki.Grants of computer time from the National En- ACKNOWLEDGMENTS ergy Research Computer Center at Livermore,California,the National Center for Supercomputing Applications,and the We are thankful to Dr.T.Diaz de la Rubia and Dr.M. Materials Research Laboratory at the University of Illinois at Ghaly for useful discussions during the course of this work. Urbana-Champaign are gratefully acknowledged. Permanent address:Accelerator Laboratory,P.O.Box 43,FIN- 25H.J.C.Berendsen et al,J.Chem.Phys.81,3684(1984). 00014 University of Helsinki,Finland.Electronic address: 26H.Zhu,R.S.Averback,and M.Nastasi,Philos.Mag.A 71,735 kai.nordlund @helsinki.fi (1995). J.Asher,Nucl.Instrum.Methods Phys.Res.B89,315(1994). 27J.Tersoff,Phys.Rev.B 38,9902(1988) 2C.Jaussaud,J.Margail,J.Lamure,and M.Bruel,Radiat.Eff.28H.Balamane,T.Halicioglu,and W.A.Tiller,Phys.Rev.B46, Defects Solids 127.319 (1994). 2250(1992) 3R.S.Averback,J.Nucl.Mater.216,49 (1994). 29R.Car,P.Blochl,and E.Samrgiassi,Mater.Sci.Forum 83-87, D.J.Bacon and T.Diaz de la Rubia,J.Nucl.Mater.216,275 433(1992). (1994). 5T.Diaz de la Rubia and G.H.Gilmer,Phys.Rev.Lett.74,2507 30M.Lannoo and J.Bourgoin,Point Defects in Semiconductors (Springer,Berlin,1981). (1995). 6K.Nordlund,J.Keinonen,E.Rauhala,and T.Ahlgren,Phys. 31P.J.Kelly,R.Car,and S.T.Pantelides,Mater.Sci.Forum 10-12, 115(1986). Rev.B52,15170(1995). 7M.Ghaly and R.S.Averback,Phys.Rev.Lett.72,364(1994). 32M.Tang,L.Colombo,J.Zhu,and T.Diaz de la Rubia,Phys. 8H.-P.Kaukonen and R.M.Nieminen,Phys.Rev.Lett.68,620 Rev.B55,14279(1997). (1992) 33M.Kitabatake and J.E.Greene,J.Appl.Phys.73,3183(1993). 91.Kwon,R.Biswas,G.S.Grest,and C.M.Soukoulis,Phys.Rev. 34 P.J.Ungar,T.Takai,T.Halicioglu,and W.A.Tiller,J.Vac. B41.3678(1990) Sci.Technol.A 11,224 (1996). 0M.Sayed,J.H.Jefferson,A.B.Walker,and A.G.Gullis,Nucl. 35 J.R.Morris,C.Z.Wang,K.M.Ho,and C.T.Chan,Phys.Rev. Instrum.Methods Phys.Res.B 102,218 (1994). B49,3109(1994). 1M.Sayed,J.H.Jefferson,A.B.Walker,and A.G.Gullis,Nucl. 36J.W.Mayer and S.S.Lau,Electronic Materials Science For Instrum.Methods Phys.Res.B 102.232 (1994). Integrated Circuits in Si and GaAs (MacMillan,New York, 12F.Gao et al.,J.Nucl.Mater.230,47 (1996). 1990). 13A.J.E.Foreman,W.J.Phythian,and C.A.English,Radiat.Eff. 37J.P.Pulkkinen,A.Kuronen,J.Keinonen,and K.Nordlund (un- Defects Solids 129,25 (1994). published). 14V.G.Kapinos and D.J.Bacon,Phys.Rev.B 53,8287(1996). 38J.Keinonen et al.,Nucl.Instrum.Methods Phys.Res.B88,382 15V.G.Kapinos and D.J.Bacon,Phys.Rev.B 52,4029(1995). (1994). 16R.S.Averback,J.Nucl.Maqter.108&109,33(1982). 39K.Nordlund,N.Runeberg,and D.Sundholm (unpublished) 1D.J.Bacon,in Computer Simulation in Materials Science,Vol. 40K.Nordlund,J.Keinonen,and T.Mattila,Phys.Rev.Lett.77, 3-8 of NATO ASI Series E:Applied Sciences,edited by H.O. 699(1996). Kirchner,L.P.Kubin,and V.Pontikis(Kluwer Academic Pub- 41 M.J.Sabochick and N.Q.Lam,Phys.Rev.B 43,5243(1991). lishers,London,1995),p.189,and references therein. J.F.Ziegler,J.P.Biersack,and U.Littmark,The Stopping and 42A.Voter and S.P.Chen,in Characterization of Defects in Ma- terials,edited by R.W.Siegel,J.R.Weertman,and R.Sinclair, Range of Ions in Matter (Pergamon,New York,1985). 9P.Ehrhart,K.H.Robrock,and H.R.Shober,in Physics of Ra- MRS Symposia Proceedings No.12(Materials Research Soci- ety,Pittsburgh,1987),p.175. diation Effects in Crystals,edited by R.A.Johnson and A.N. Orlov (Elsevier,Amsterdam,1986),p.3. 43H.Zhu and R.S.Averback (unpublished). 20M.S.Daw,S.M.Foiles,and M.I.Baskes,Mater.Sci.Rep.9, 44T.L.Daulton,M.A.Kirk,and L.E.Rehn in Materials Modifi- 251(1993). cation and Synthesis by Ion Beam Processing,edited by D.E. 21F.Gao and D.J.Bacon,Philos.Mag.A 71,43 (1995). Alexander,N.W.Cheung,B.Park,and W.Skorupa,MRS Sym- 22M.P.Allen and D.J.Tildesley,Computer Simulation of Liquids posia Proceedings No.438 (Materials Research Society,Pitts- (Oxford University Press,Oxford,England,1989). burgh,in press). 23K.Nordlund,Comput.Mater.Sci.3,448 (1995). 45F.H.Stillinger and T.A.Weber,Phys.Rev.B 31,5262(1985). 24In practice,the final defect distributions were somewhat distorted 46O.W.Holland,J.Narayan,and D.Fathy,Nucl.Instrum.Methods from the ideal Gaussian shape due to the use of the 10 A mini- Phys.Res.B7/8,243(1985) mum distance criterion. 47G.Bai and M.-A.Nicolet,J.Appl.Phys.70,649 (1991).and Au, and the results in the diamond-structured Si, we attributed the difference in damage production in the two kinds of solids to be due to the nature of bonding. ACKNOWLEDGMENTS We are thankful to Dr. T. Dı´az de la Rubia and Dr. M. Ghaly for useful discussions during the course of this work. The research was supported by the U.S. Department of En￾ergy, Basic Energy Sciences under Grant No. DEFG02- 91ER45439, and by the Academy of Finland and University of Helsinki. Grants of computer time from the National En￾ergy Research Computer Center at Livermore, California, the National Center for Supercomputing Applications, and the Materials Research Laboratory at the University of Illinois at Urbana-Champaign are gratefully acknowledged. * Permanent address: Accelerator Laboratory, P.O. Box 43, FIN- 00014 University of Helsinki, Finland. Electronic address: kai.nordlund@helsinki.fi 1 J. Asher, Nucl. Instrum. Methods Phys. Res. B 89, 315 ~1994!. 2C. Jaussaud, J. Margail, J. Lamure, and M. Bruel, Radiat. Eff. Defects Solids 127, 319 ~1994!. 3R. S. Averback, J. Nucl. Mater. 216, 49 ~1994!. 4D. J. Bacon and T. Diaz de la Rubia, J. Nucl. Mater. 216, 275 ~1994!. 5T. Diaz de la Rubia and G. H. Gilmer, Phys. Rev. Lett. 74, 2507 ~1995!. 6K. Nordlund, J. Keinonen, E. Rauhala, and T. 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