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The first-principls theory is used to study the interaction between the Ge atom and the vacancies in Ge-doped czochralski silicon. The CASTEP calculation shows the stable structural model of Ge atom and one vacancy, two vacancies and three vacancies through the distance between the Ge atom and vacancy (or the vacancy centers) and the size of the area (or volume). The calculation shows that the Ge atom introduced into the GCZ Si crystal tends to accumulate with the vacancy and then seeds for the Ge-vacancy complexes.
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Keywords:
- Ge-doped czochralski silicon /
- Ge-V complexes /
- CASTE /
- first-principles theory
[1] Ryuta J, Morita E, Tanaka T, Shimanuki Y 1990 Jpn. J. Appl. Phys. 29 L1947
[2] Itsumi M, Akiya H, Ueki T, Tomita M, Yamawaki M 1996 Jan. J. Appl. Phys. 53 812
[3] Brown R A, Wang Z, Mori T 2001 J. Cryst. Growth 225 97
[4] Itsumi M 2002 J. Cryst. Growth 237–239 1773
[5] Sinno T, Dornberger E, von AmmonW, Brown R A, Dupret F 2000 Mater. Sci. Eng. R 28 149
[6] Yang D R, Yu X G, Ma X Y, Xu J, Li L B, Que D L 2002 J. Cryst. Growth 243 371
[7] Yu X G, Yang D R, Ma X Y, Li H, Shen Y J, Tian D X, Li L B, Que D L 2003 J. Cryst. Growth 250 359
[8] Chen J H, Yang D R, Ma X Y, Li H, Que D L 2007 J. Appl. Phys. 101 033526
[9] Chen J H, Yang D R, Li H, Ma X Y, Que D L 2006 J. Appl. Phys. 99 073509
[10] Nakamura K, Saishoji T, Kubota T, Iida T, Shimanuki Y, Kotooka T, Tomioka J 1997 J. Cryst. Growth 180 61
[11] Vanhellemont J, De Gryse O, Clauws P 2005 Appl. Phys. Lett. 86 221903
[12] Dornberger E, von AmmonW, Virbulis J, Hanna B, Sinno T 2001 J. Cryst. Growth 230 291
[13] Akatsuka M, Okui M, Sueoka K 2002 Nuclear Instruments & Methods in Physics Research Section 186 46
[14] Fujita N, Jones R, Goss J P, Briddon P R, Frauenheim T, Oberg S 2005 Appl. Phys. Lett. 87 021902
[15] Sanati M, Estreicher S K 2005 Phys. Rev. 72 165206
[16] Xu J, Li F L, Yang D R 2007 Acta Phys. Sin. 56 4113 (in Chinese)[徐进, 李福龙, 杨德仁 2007 物理学报 56 4113]
[17] Xi G P, Ma X Y, Tian D X, Zeng Y H, Gong L F, Yang D R 2008 Acta Phys. Sin. 57 7108 (in Chinese)[奚光平, 马向阳, 田达晰, 曾俞衡, 宫龙飞, 杨德仁 2008 物理学报 57 7108]
[18] Chen J H, Wu T Q, Ma X Y, Wang L, Yang D R 2008 J. Appl. Phys. 103 123519
[19] Segall M D, Lindan P J D, Probert M J, Pickard C J, Hasnip P J, Clark S J, Payne M C 2002 J. Phys.: Condens. Matter 14 2717
[20] Guo Z H, Yan X H, Xiao Y 2010 Phys. Lett. A 374 1534
[21] Florence A J, Bardin J, Johnston B, Shankland N, Griffin T A N, Shankland K 2009 Z. Kristallogr. 30 215
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[1] Ryuta J, Morita E, Tanaka T, Shimanuki Y 1990 Jpn. J. Appl. Phys. 29 L1947
[2] Itsumi M, Akiya H, Ueki T, Tomita M, Yamawaki M 1996 Jan. J. Appl. Phys. 53 812
[3] Brown R A, Wang Z, Mori T 2001 J. Cryst. Growth 225 97
[4] Itsumi M 2002 J. Cryst. Growth 237–239 1773
[5] Sinno T, Dornberger E, von AmmonW, Brown R A, Dupret F 2000 Mater. Sci. Eng. R 28 149
[6] Yang D R, Yu X G, Ma X Y, Xu J, Li L B, Que D L 2002 J. Cryst. Growth 243 371
[7] Yu X G, Yang D R, Ma X Y, Li H, Shen Y J, Tian D X, Li L B, Que D L 2003 J. Cryst. Growth 250 359
[8] Chen J H, Yang D R, Ma X Y, Li H, Que D L 2007 J. Appl. Phys. 101 033526
[9] Chen J H, Yang D R, Li H, Ma X Y, Que D L 2006 J. Appl. Phys. 99 073509
[10] Nakamura K, Saishoji T, Kubota T, Iida T, Shimanuki Y, Kotooka T, Tomioka J 1997 J. Cryst. Growth 180 61
[11] Vanhellemont J, De Gryse O, Clauws P 2005 Appl. Phys. Lett. 86 221903
[12] Dornberger E, von AmmonW, Virbulis J, Hanna B, Sinno T 2001 J. Cryst. Growth 230 291
[13] Akatsuka M, Okui M, Sueoka K 2002 Nuclear Instruments & Methods in Physics Research Section 186 46
[14] Fujita N, Jones R, Goss J P, Briddon P R, Frauenheim T, Oberg S 2005 Appl. Phys. Lett. 87 021902
[15] Sanati M, Estreicher S K 2005 Phys. Rev. 72 165206
[16] Xu J, Li F L, Yang D R 2007 Acta Phys. Sin. 56 4113 (in Chinese)[徐进, 李福龙, 杨德仁 2007 物理学报 56 4113]
[17] Xi G P, Ma X Y, Tian D X, Zeng Y H, Gong L F, Yang D R 2008 Acta Phys. Sin. 57 7108 (in Chinese)[奚光平, 马向阳, 田达晰, 曾俞衡, 宫龙飞, 杨德仁 2008 物理学报 57 7108]
[18] Chen J H, Wu T Q, Ma X Y, Wang L, Yang D R 2008 J. Appl. Phys. 103 123519
[19] Segall M D, Lindan P J D, Probert M J, Pickard C J, Hasnip P J, Clark S J, Payne M C 2002 J. Phys.: Condens. Matter 14 2717
[20] Guo Z H, Yan X H, Xiao Y 2010 Phys. Lett. A 374 1534
[21] Florence A J, Bardin J, Johnston B, Shankland N, Griffin T A N, Shankland K 2009 Z. Kristallogr. 30 215
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