The structures and properties of Ge nanocrystals before and after Neutron transmutation doping

Chen Qing-Yun; Xu Ming; Lu Tie-Cheng; Meng Chuan-Min; Hu You-Wen

doi:10.7498/aps.59.6473

Abstract

The effects of vacant, O defects and As doping on the structures and properties of Ge nanocrystals (Ge-ncs) are investigated by using first-principles calculation based on the density functional theory (DFT). The calculation results indicate that the O defects induced by thermal annealing cannot compensate for the defects caused by neutron irradiation in Ge nanocrystals, while the introduction of As produced by neutron transmutation doping (NTD) will do the jop. We also show that the strong attraction between O and Ge atoms inhibits the formation of vacant defects in Ge nanocrystals, and further improve the luminescent property of Ge-SiO2 system. This suggests that it is necessary to perform thermal annealing for Ge-ncs structures before NTD. Our calculations well support our previous experimental results.

Keywords:

Authors and contacts

(1)Department of Physics and Key Laboratory for Radiation Physics and Technology of Ministry of Education, Sichuan University, Chengdu 610064, China; (2)Department of Physics and Key Laboratory for Radiation Physics and Technology of Ministry of Education, Sichuan University, Chengdu 610064, China;Key Lab for Shock Wave and Detonation Physics Research, Institute of Fluid Physics, China Academy of Engineer; (3)Key Lab for Shock Wave and Detonation Physics Research, Institute of Fluid Physics, China Academy of Engineering Physics, Mianyang 621900, China; (4)Laboratory for Low-dimensional Structure Physics, Institute of Solid State Physics School of Physics and Electronic Engineering, Sichuan Normal University, Chengdu 610068, China

References

[1]	Canham L T 1990 Appl. Phys. Lett. 57 1046
[2]	2002 Physica E 13 1034
[3]	Pavesi L, Dal N L, Mazzoleni C, Franzò G, Priolo F 2000 Nature 408 440
[4]	Klimov V I, Ivanov S A, Nanda J, Achermann M, Bezel I, McGuire J A, Piryatinski A 2007 Nature 447 441
[5]	Godefroo S, Hayne M, Jivanescu M, Stesmans A, Zacharias M, Lebedev O I, Van T G, Moshchalkov V V 2008 Nat. Nanotechnol. 3 174
[6]	Dinh L N, Chase L L, Balooch M, Siekhaus W J, Wooten F 1996 Phys. Rev. B 54 5029
[7]	Wu X L, Gao T, Siu G G, Tong S, Bao X M 1999 Appl. Phys. Lett. 74 2420
[8]	Zhang J Y, Ye Y H, Tan X L 1999 Appl. Phys. Lett. 74 2459
[9]	Hassan K M, Sharma A K, Narayan J, Muth J F, Teng C W, Kolbas R M 1999 Appl. Phys. Lett. 75 1222
[10]	Ngiam S T, Jensen K F, Kolenbrander K D 1994 J. Appl. Phys. 76 8201
[11]	Maeda Y 1995 Phys. Rev. B 51 1658
[12]	Weissker H C, Furthmüller J, Bechstedt F 2002 Phys. Rev. B 65 155327
[13]	Weissker H C, Furthmüller J, Bechstedt F 2002 Phys. Rev. B 65 155328
[14]	Weissker H C, Furthmüller J, Bechstedt F 2004 Phys. Rev. B 69 115310
[15]	Nesher G, Kronik L, Chelikowshy J R 2005 Phys. Rev. B 71 035344
[16]	Ren S Y 1994 Solid State Commun. 89 587
[17]	Xu X F, Shao X H 2009 Acta Phys. Sin. 58 1908 (in Chinese) [徐新发、邵晓红 2009 58 1908]
[18]	Chen K, Fan G H, Zhang Y, Ding S F 2008 Acta Phys. Sin. 57 3138 (in Chinese)[陈琨、范广涵、章勇、丁少锋 2008 57 3138]
[19]	Guo J Y, Zheng G, He K H, Chen J Z 2008 Acta Phys. Sin. 57 3740 (in Chinese) [郭建云、郑广、何开华、陈敬中 2008 57 3740]
[20]	Shen YB, Zhou X, Xu M, Ding Y C, Duan M Y, Linghu Rong-Feng, Zhu W J 2007 Acta Phys. Sin. 56 3440 (in Chinese) [沈益斌、周勋、徐明、丁迎春、段满益、令狐荣锋、祝文军 2007 56 3440]
[21]	Dang S H, Li C X, Han P D 2009 Acta Phys. Sin. 58 4137 (in Chinese)[党随虎、李春霞、韩培德 2009 58 4137]
[22]	Fujii M, Yamaguchi Y, Takase Y, Ninomiya K, Hayashi S, 2004 Appl. Phys. Lett. 85 1158
[23]	Arantes J T, Silva A J R da, Fazzio A 2007 Phys. Rev. B 75 115113
[24]	Poddar P, Sahoo Y, Srikath H, Prasad P N 2005 Appl. Phys. Lett. 87 062506
[25]	Schmidt T M, Venezuela P, Arantes J T, Fazzio A 2006 Phys. Rev. B 73 235330
[26]	Huang X, Makmal A, Chelikowshy J R, Kronik L 2005 Phys. Rev. Lett. 94 236801
[27]	Satoh M, Kuriyama K, Kawakubo T 1990 J. Appl. Phys. 67 3542
[28]	Itoh K M, Walukiewicz W, Fuchs H D, Beeman J W, Haller E E, Farmer J W, Ozhogin V I 1994 Phys. Rev. B 50 16995
[29]	Beole S, Bonvicini V, Burger P, Casse G, Giubellino P, Idzik M, Kolojvari A, Rashevsky A, Riccati L, Vacchi A, Zampa N 2001 Nucl. Instr. Meth. Phys. Res. A 473 319
[30]	Grun J, Manka C K, Hoffman C A, Meyer J R, Glembochi O J, Kaplan R, Qadri S B, Skelton E F 1997 Phys. Rev. Lett. 78 1584
[31]	Dun S, Lu T, Hu Y, Hu Q, Yu L, Li Z, Huang N, Zhang S. Tang B, Dai J, Resnick L, Shlimak I 2008 J. Lumin. 128 1363
[32]	Dun S, Lu T, Hu Y, Hu Q, You C, Huang N 2008 Mater. Lett. 62 3617
[33]	Hu Y, Lu T, Dun S, Hu Q, Huang N, Zhang S, Tang B, Dai J, Resnick L, Shlimak I, Zhu S, Wei Q, Wang L 2007 Solid State Comun. 141 514
[34]	Hu Y, Lu T, Dun S, Hu Q, You C, Chen Q, Huang N, Resnick L, Shlimak I, Sun K, Xu W, 2009 Scrip. Mater. 61 970
[35]	Nigam S, Majumder C, Kulshreshtha S K 2004 J. Chem. Phys. 121 7756
[36]	Jing Q, Zhang J, Wang Q L, Luo Y H 2007 Acta Phys. Sin. 56 4477 (in Chinese) [井群、张俊、王清林、罗有华 2007 56 4477]
[37]	Perdew J P, Wang Y 1992 Phys. Rev. B 45 13244
[38]	Dolg M, Wedig U, Stoll, H, Preuss H 1987 J. Chem. Phys. 86 866
[39]	Asaduzzaman A M, Springborg M 2006 Phys. Rev. B 74 165406
[40]	Vasiliev I, Chelikowsky J R, Martin R M 2002 Phys. Rev. B 65 121302(R)
[41]	Ossicini S, Iori F, Degoli E, Luppi E, Magri R, Poli R, Cantele G, Trani F, Ninno D 2006 IEEE J. Sel. Top. Quant. Electron. 12 1585
[42]	Niquet Y M, Allan G, Delerue C, Lannoo M 2000 Appl. Phys. Lett. 77 1182
[43]	Hill N A, Whaley K B 1995 Phys. Rev. Lett. 75 1130
[44]	Puzder A, Williamson A J, Grossman J C, Galli G 2002 Phys. Rev. Lett. 88 097401
[45]	Toshikiyo K, Tokunaga M, Takeoka S, Fujiib M, Hayashia S
[46]	Hoffmann H J 1981 J. Appl. Phys. 52 4070
[47]	Markevich V P, Hawkins I D, Peaker A R, Emtsev K V, Emtsev V V, Litvinov V V, Murin L I, Dobaczewski L 2004 Phys. Rev. B 70 235213

Cited By

[1]	Canham L T 1990 Appl. Phys. Lett. 57 1046
[2]	2002 Physica E 13 1034
[3]	Pavesi L, Dal N L, Mazzoleni C, Franzò G, Priolo F 2000 Nature 408 440
[4]	Klimov V I, Ivanov S A, Nanda J, Achermann M, Bezel I, McGuire J A, Piryatinski A 2007 Nature 447 441
[5]	Godefroo S, Hayne M, Jivanescu M, Stesmans A, Zacharias M, Lebedev O I, Van T G, Moshchalkov V V 2008 Nat. Nanotechnol. 3 174
[6]	Dinh L N, Chase L L, Balooch M, Siekhaus W J, Wooten F 1996 Phys. Rev. B 54 5029
[7]	Wu X L, Gao T, Siu G G, Tong S, Bao X M 1999 Appl. Phys. Lett. 74 2420
[8]	Zhang J Y, Ye Y H, Tan X L 1999 Appl. Phys. Lett. 74 2459
[9]	Hassan K M, Sharma A K, Narayan J, Muth J F, Teng C W, Kolbas R M 1999 Appl. Phys. Lett. 75 1222
[10]	Ngiam S T, Jensen K F, Kolenbrander K D 1994 J. Appl. Phys. 76 8201
[11]	Maeda Y 1995 Phys. Rev. B 51 1658
[12]	Weissker H C, Furthmüller J, Bechstedt F 2002 Phys. Rev. B 65 155327
[13]	Weissker H C, Furthmüller J, Bechstedt F 2002 Phys. Rev. B 65 155328
[14]	Weissker H C, Furthmüller J, Bechstedt F 2004 Phys. Rev. B 69 115310
[15]	Nesher G, Kronik L, Chelikowshy J R 2005 Phys. Rev. B 71 035344
[16]	Ren S Y 1994 Solid State Commun. 89 587
[17]	Xu X F, Shao X H 2009 Acta Phys. Sin. 58 1908 (in Chinese) [徐新发、邵晓红 2009 58 1908]
[18]	Chen K, Fan G H, Zhang Y, Ding S F 2008 Acta Phys. Sin. 57 3138 (in Chinese)[陈琨、范广涵、章勇、丁少锋 2008 57 3138]
[19]	Guo J Y, Zheng G, He K H, Chen J Z 2008 Acta Phys. Sin. 57 3740 (in Chinese) [郭建云、郑广、何开华、陈敬中 2008 57 3740]
[20]	Shen YB, Zhou X, Xu M, Ding Y C, Duan M Y, Linghu Rong-Feng, Zhu W J 2007 Acta Phys. Sin. 56 3440 (in Chinese) [沈益斌、周勋、徐明、丁迎春、段满益、令狐荣锋、祝文军 2007 56 3440]
[21]	Dang S H, Li C X, Han P D 2009 Acta Phys. Sin. 58 4137 (in Chinese)[党随虎、李春霞、韩培德 2009 58 4137]
[22]	Fujii M, Yamaguchi Y, Takase Y, Ninomiya K, Hayashi S, 2004 Appl. Phys. Lett. 85 1158
[23]	Arantes J T, Silva A J R da, Fazzio A 2007 Phys. Rev. B 75 115113
[24]	Poddar P, Sahoo Y, Srikath H, Prasad P N 2005 Appl. Phys. Lett. 87 062506
[25]	Schmidt T M, Venezuela P, Arantes J T, Fazzio A 2006 Phys. Rev. B 73 235330
[26]	Huang X, Makmal A, Chelikowshy J R, Kronik L 2005 Phys. Rev. Lett. 94 236801
[27]	Satoh M, Kuriyama K, Kawakubo T 1990 J. Appl. Phys. 67 3542
[28]	Itoh K M, Walukiewicz W, Fuchs H D, Beeman J W, Haller E E, Farmer J W, Ozhogin V I 1994 Phys. Rev. B 50 16995
[29]	Beole S, Bonvicini V, Burger P, Casse G, Giubellino P, Idzik M, Kolojvari A, Rashevsky A, Riccati L, Vacchi A, Zampa N 2001 Nucl. Instr. Meth. Phys. Res. A 473 319
[30]	Grun J, Manka C K, Hoffman C A, Meyer J R, Glembochi O J, Kaplan R, Qadri S B, Skelton E F 1997 Phys. Rev. Lett. 78 1584
[31]	Dun S, Lu T, Hu Y, Hu Q, Yu L, Li Z, Huang N, Zhang S. Tang B, Dai J, Resnick L, Shlimak I 2008 J. Lumin. 128 1363
[32]	Dun S, Lu T, Hu Y, Hu Q, You C, Huang N 2008 Mater. Lett. 62 3617
[33]	Hu Y, Lu T, Dun S, Hu Q, Huang N, Zhang S, Tang B, Dai J, Resnick L, Shlimak I, Zhu S, Wei Q, Wang L 2007 Solid State Comun. 141 514
[34]	Hu Y, Lu T, Dun S, Hu Q, You C, Chen Q, Huang N, Resnick L, Shlimak I, Sun K, Xu W, 2009 Scrip. Mater. 61 970
[35]	Nigam S, Majumder C, Kulshreshtha S K 2004 J. Chem. Phys. 121 7756
[36]	Jing Q, Zhang J, Wang Q L, Luo Y H 2007 Acta Phys. Sin. 56 4477 (in Chinese) [井群、张俊、王清林、罗有华 2007 56 4477]
[37]	Perdew J P, Wang Y 1992 Phys. Rev. B 45 13244
[38]	Dolg M, Wedig U, Stoll, H, Preuss H 1987 J. Chem. Phys. 86 866
[39]	Asaduzzaman A M, Springborg M 2006 Phys. Rev. B 74 165406
[40]	Vasiliev I, Chelikowsky J R, Martin R M 2002 Phys. Rev. B 65 121302(R)
[41]	Ossicini S, Iori F, Degoli E, Luppi E, Magri R, Poli R, Cantele G, Trani F, Ninno D 2006 IEEE J. Sel. Top. Quant. Electron. 12 1585
[42]	Niquet Y M, Allan G, Delerue C, Lannoo M 2000 Appl. Phys. Lett. 77 1182
[43]	Hill N A, Whaley K B 1995 Phys. Rev. Lett. 75 1130
[44]	Puzder A, Williamson A J, Grossman J C, Galli G 2002 Phys. Rev. Lett. 88 097401
[45]	Toshikiyo K, Tokunaga M, Takeoka S, Fujiib M, Hayashia S
[46]	Hoffmann H J 1981 J. Appl. Phys. 52 4070
[47]	Markevich V P, Hawkins I D, Peaker A R, Emtsev K V, Emtsev V V, Litvinov V V, Murin L I, Dobaczewski L 2004 Phys. Rev. B 70 235213

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Vol. 59, Issue 9 - 2010-05-05

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