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Radiation displacement effect is studied using shell model molecular dynamics simulations. Using oxygen atom as a primary knock-on atom, the creation and the evolution of various defects in the system corresponding to the primary knock-on atom(PKA) energy of 1 keV are studied. The results show that a largest number of defects are created when the incidence is along the [001]direction. Among all the defect species, oxygen atom defects are dominant, and its concentration reaches 80%. The creation of defects does not change the spontaneous polarization of the system significantly, and the polarization reversal also changes little. Defect migration is observed under an applied electric field.
[1] Scott J F, Paz De Araujo C A 1989 Science 246 1400
[2] Scott J F, Araujo C A, Meadows H B, McMillan L D, Shawabkeh A 1989 J. Appl. Phys. 66 1444
[3] Li Y, Ma Y, Zhou Y C 2009 Appl. Phys. Lett. 94 042903
[4] Meng K, Jiang S L, Hou L N, Li C, Wang K, Ding Z B, Yao S D 2006 Acta. Phys. Sin. 55 2476 (in Chinese) [蒙 康、姜森林、侯利娜、李 蝉、王 坤、丁志博、姚淑德 2006 物理学报 55 2476]
[5] Hu J M, Wu Y Y, Qian Y, Yang D Z, He S Y 2009 Acta. Phys. Sin. 58 5051 (in Chinese) [胡建民、吴宜勇、钱 勇、杨德庄、何世禹 2009 物理学报 58 5051]
[6] Zhang C H, Chen K Q, Wang Y S, Sun J G 1997 Acta. Phys. Sin. 46 1774 (in Chinese) [张崇红、陈克勤、王引书、孙继光 1997 物理学报 46 1774]
[7] He X F, Yang W, Fan S 2009 Acta. Phys. Sin. 58 8657 (in Chinese) [贺新福、杨 文、樊 胜 2009 物理学报 58 8657]
[8] Yang T, Zu X T, Xiao H Y, Yang S Z, Liu, K Z, Gao F 2005 Acta. Phys. Sin. 54 4857 (in Chinese) [杨 莉、 祖小涛、 肖海燕、 杨树政、 刘柯钊、 Gao F 2005 物理学报 54 4857]
[9] He B P, Chen W, Wang G Z 2006 Acta. Phys. Sin. 55 3546 (in Chinese) [何宝平、陈 伟、王桂珍 2006 物理学报 55 3546]
[10] Tanaka H, Tabata H, Ota K, Kawai T 1996 Phys. Rev. B 53 14112
[11] Chen Y X, Xie G F, Ma Y, Zhou Y C 2009 Acta. Phys. Sin. 58 4085 (in Chinese) [陈育祥、谢国锋、马 颖、周益春 2009 物理学报 58 4085]
[12] Ma Y, Chen Y X, Zhou Y C 2008 Radiat. Eff. Def. Solid 163 189
[13] Sepliarsky M, Asthagiri A, Phillpot S R, Stachiotti M G, Migoni R L 2005 Curr. Opin. Solid State Mater. Sci. 9 107
[14] Tinte S, Stachiotti M G, Sepliarsky M, Migoni R L, Rodriguez C O 1999 J. Phys.: Condens. Matter. 11 9679
[15] Chen Y X, Liu B N, Ma Y, Zhou Y C 2009 Nucl. Instr. and Meth. B 267 3090
[16] Dawber M, Rabe K M, Scott J F 2005 Rev. Mod. Phys. 77 1083
[17] www.ccp5.ac.uk/DL_POLY.
[18] Ma Y, Liu B N, Zhou Y C, Ding J W 2010 Appl. Phys. Lett. 96 122904
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[1] Scott J F, Paz De Araujo C A 1989 Science 246 1400
[2] Scott J F, Araujo C A, Meadows H B, McMillan L D, Shawabkeh A 1989 J. Appl. Phys. 66 1444
[3] Li Y, Ma Y, Zhou Y C 2009 Appl. Phys. Lett. 94 042903
[4] Meng K, Jiang S L, Hou L N, Li C, Wang K, Ding Z B, Yao S D 2006 Acta. Phys. Sin. 55 2476 (in Chinese) [蒙 康、姜森林、侯利娜、李 蝉、王 坤、丁志博、姚淑德 2006 物理学报 55 2476]
[5] Hu J M, Wu Y Y, Qian Y, Yang D Z, He S Y 2009 Acta. Phys. Sin. 58 5051 (in Chinese) [胡建民、吴宜勇、钱 勇、杨德庄、何世禹 2009 物理学报 58 5051]
[6] Zhang C H, Chen K Q, Wang Y S, Sun J G 1997 Acta. Phys. Sin. 46 1774 (in Chinese) [张崇红、陈克勤、王引书、孙继光 1997 物理学报 46 1774]
[7] He X F, Yang W, Fan S 2009 Acta. Phys. Sin. 58 8657 (in Chinese) [贺新福、杨 文、樊 胜 2009 物理学报 58 8657]
[8] Yang T, Zu X T, Xiao H Y, Yang S Z, Liu, K Z, Gao F 2005 Acta. Phys. Sin. 54 4857 (in Chinese) [杨 莉、 祖小涛、 肖海燕、 杨树政、 刘柯钊、 Gao F 2005 物理学报 54 4857]
[9] He B P, Chen W, Wang G Z 2006 Acta. Phys. Sin. 55 3546 (in Chinese) [何宝平、陈 伟、王桂珍 2006 物理学报 55 3546]
[10] Tanaka H, Tabata H, Ota K, Kawai T 1996 Phys. Rev. B 53 14112
[11] Chen Y X, Xie G F, Ma Y, Zhou Y C 2009 Acta. Phys. Sin. 58 4085 (in Chinese) [陈育祥、谢国锋、马 颖、周益春 2009 物理学报 58 4085]
[12] Ma Y, Chen Y X, Zhou Y C 2008 Radiat. Eff. Def. Solid 163 189
[13] Sepliarsky M, Asthagiri A, Phillpot S R, Stachiotti M G, Migoni R L 2005 Curr. Opin. Solid State Mater. Sci. 9 107
[14] Tinte S, Stachiotti M G, Sepliarsky M, Migoni R L, Rodriguez C O 1999 J. Phys.: Condens. Matter. 11 9679
[15] Chen Y X, Liu B N, Ma Y, Zhou Y C 2009 Nucl. Instr. and Meth. B 267 3090
[16] Dawber M, Rabe K M, Scott J F 2005 Rev. Mod. Phys. 77 1083
[17] www.ccp5.ac.uk/DL_POLY.
[18] Ma Y, Liu B N, Zhou Y C, Ding J W 2010 Appl. Phys. Lett. 96 122904
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