中子嬗变掺杂前后Ge纳米晶的结构和性质

陈青云; 孟川民; 卢铁城; 徐明; 胡又文

doi:10.7498/aps.59.6473

摘要

采用第一性原理计算模拟Ge纳米晶在中子嬗变掺杂(NTD)后受空位、O和As杂质的影响.结果表明,退火方法引入的O并不能消除纳米晶中的辐照致空位缺陷的影响,而NTD 产生的As掺杂能补偿这些空位缺陷并消除禁带中产生的杂质能级,从而改善半导体掺杂性能.计算还发现,由于较高的电负性,纳米晶中O对Ge原子较强的吸附作用阻止了空位的形成,导致与缺陷相关的非辐射发光中心的浓度减小,发光效率提高,因此中子辐照掺杂前的高温退火处理是非常有必要的.计算较好地解释了已报道的实验结果.

关键词:

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:

作者及机构信息

(1)四川大学物理学院教育部辐射物理技术重点实验室,成都 610064; (2)四川大学物理学院教育部辐射物理技术重点实验室,成都 610064;中国工程物理研究院流体物理研究所冲击波物理与爆轰物理国防重点实验室,绵阳 621900;四川师范大学物理与电子工程学院固体物理研究所低维结构物理实验室,成都 610068; (3)四川师范大学物理与电子工程学院固体物理研究所低维结构物理实验室,成都 610068; (4)中国工程物理研究院流体物理研究所冲击波物理与爆轰物理国防重点实验室,绵阳 621900

基金项目: 国家自然科学基金委-中国工程物理研究院联合基金 (批准号:10376020), 教育部新世纪优秀人才培养计划基金(批准号:NCET-04-0874)和四川省青年科技基金(批准号:08ZQ026-025)资助的课题.

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

参考文献

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[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 物理学报 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

施引文献

[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 物理学报 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 物理学报 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 物理学报 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 物理学报 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 物理学报 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 物理学报 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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