Comparisons of ZnO codoped by group IIIA elements (Al, Ga, In) and N: a first-principle study

doi:10.1088/1674-1056/19/11/117102

中国物理B ›› 2010, Vol. 19 ›› Issue (11): 117102-117103.doi: 10.1088/1674-1056/19/11/117102

Comparisons of ZnO codoped by group IIIA elements (Al, Ga, In) and N: a first-principle study

李平¹, 张莉¹, 余江应¹, 刘果红¹, 邓胜华²

(1)Department of Mathematics and Physics, Anhui University of Architecture, Hefei 230022, China; (2)School of Physics and Nuclear Energy Engineering, Beihang University, Beijing 100191, China

收稿日期:2010-04-18 修回日期:2010-06-25 出版日期:2010-11-15 发布日期:2010-11-15
基金资助:
Project supported by the Special Foundation for Young Scientists of Anhui Province, China (Grant No. 2009SQRZ097ZD) and the Foundation of Anhui University of Architecture (Grant No. 20070601).

Comparisons of ZnO codoped by group IIIA elements (Al, Ga, In) and N: a first-principle study

Li Ping(李平)^a)†, Deng Sheng-Hua(邓胜华)^b), Zhang Li(张莉)^a), Yu Jiang-Ying(余江应)^a), and Liu Guo-Hong(刘果红)^a)

^a Department of Mathematics and Physics, Anhui University of Architecture, Hefei 230022, China; ^b School of Physics and Nuclear Energy Engineering, Beihang University, Beijing 100191, China

Received:2010-04-18 Revised:2010-06-25 Online:2010-11-15 Published:2010-11-15
Supported by:
Project supported by the Special Foundation for Young Scientists of Anhui Province, China (Grant No. 2009SQRZ097ZD) and the Foundation of Anhui University of Architecture (Grant No. 20070601).

摘要/Abstract

摘要： The electronic structures and effective masses of the N mono-doped and Al-N, Ga-N, In-N codoped ZnO system have been calculated by a first-principle method, and comparisons among different doping cases are made. According to the results, the impurity states in the codoping cases are more delocalised compared to the N mono-doping case, which means a better conductive behaviour can be obtained by codoping. Besides, compared to the Al-N and Ga-N codoping cases, the hole effective mass of In-N codoped system is much smaller, indicating the p-type conductivity can be more enhanced by In-N codoping.

Abstract: The electronic structures and effective masses of the N mono-doped and Al–N, Ga–N, In–N codoped ZnO system have been calculated by a first-principle method, and comparisons among different doping cases are made. According to the results, the impurity states in the codoping cases are more delocalised compared to the N mono-doping case, which means a better conductive behaviour can be obtained by codoping. Besides, compared to the Al–N and Ga–N codoping cases, the hole effective mass of In–N codoped system is much smaller, indicating the p-type conductivity can be more enhanced by In–N codoping.

Key words: first-principles, ZnO, conductivity, doping

中图分类号: (III-V and II-VI semiconductors)

61.72.uj

71.15.-m (Methods of electronic structure calculations) 71.18.+y (Fermi surface: calculations and measurements; effective mass, g factor) 71.20.Nr (Semiconductor compounds) 71.55.Gs (II-VI semiconductors) 72.80.Ey (III-V and II-VI semiconductors)

李平, 邓胜华, 张莉, 余江应, 刘果红. Comparisons of ZnO codoped by group IIIA elements (Al, Ga, In) and N: a first-principle study[J]. 中国物理B, 2010, 19(11): 117102-117103.

Li Ping(李平), Deng Sheng-Hua(邓胜华), Zhang Li(张莉), Yu Jiang-Ying(余江应), and Liu Guo-Hong(刘果红). Comparisons of ZnO codoped by group IIIA elements (Al, Ga, In) and N: a first-principle study[J]. Chin. Phys. B, 2010, 19(11): 117102-117103.

参考文献 42

[1]	Klingshirn C 2007 Chem. Phys. Chem. 8 782
[2]	Tang Z K, Wong G K, Kawasaki P, Kawasaki M, Ohtomo A, Koinuma H and Segawa Y 1998 Appl. Phys. Lett. 72 3270
[3]	Xu W Z, Ye Z Z, Zhou T, Zhao B H, Zhu L P and Huang J Y 2004 J. Cryst. Growth 265 133
[4]	Kang H S, Ahn B D, Kim J H, Kim G H, Lim S H, Chang H W and Lee S Y 2006 Appl. Phys. Lett. 88 202108
[5]	Du G, Ma Y, Zhang Y and Yang T 2005 Appl. Phys. Lett. 87 213103
[6]	Look D C, Reynolds D C, Litton C W, Jones R L, Eason D B and Cantwell G 2002 Appl. Phys. Lett. 81 1830
[7]	Rommeluere J F, Svob L, Jomard F, Mimila-Arroyo J, Lusson A, Sallet V and Marfaing Y 2003 Appl. Phys. Lett. 83 287
[8]	Xu W Z, Ye Z Z, Zeng Y J, Zhu L P, Zhao B H, Jiang L, Lu J G, He H P and Zhang S B 2006 Appl. Phys. Lett. 88 173506
[9]	Tsukazaki A, Ohtomo A, Onuma T, Ohtani M, Makino T, Sumiya M, Ohtani K, Chichibu S, Fuke S, Segawa Y, Ohno H, Koinuma H and Kawasaki M 2005 Nat. Mater. 4 42
[10]	Yu Zh G, Wu P and Gong H 2006 Appl. Phys. Lett. 88 132114
[11]	Xiu F X, Yang Z, Mandalapu L J, Liu J L and Beyermann W P 2006 Appl. Phys. Lett. 88 052106
[12]	Vaithianathan V, Lee B T and Kima S S 2006 J. Appl. Phys. 98 043519
[13]	Vaithianathan V, Lee B T, Chang Ch H, Asokan K and Kim S S 2006 Appl. Phys. Lett. 88 112103
[14]	Vaithianathan V, Lee B T and Kim S S 2005 Appl. Phys. Lett. 86 062101
[15]	Mandalapu L J, Yang Z, Xiu F X, Zhao D T and Liu J L 2006 Appl. Phys. Lett. 88 092103
[16]	Xiu F X, Yang Z, Mandalapu L J, Zhao D T, Liua J L and Beyermann W P 2005 Appl. Phys. Lett. 87 152101
[17]	Yuan G D, Ye Z Z, Zhu L P, Qian Q, Zhao B H and Fan R X 2005 Appl. Phys. Lett. 86 202106
[18]	Bian J M, Li X M, Zhang C Y and Chen L D 2004 Appl. Phys. Lett. 84 3783
[19]	Dai L P, Deng H, Chen J J and Wei M 2007 Solid State Commun. 143 378
[20]	Zhu Q Y, Ye Z Z, Yuan G D, Huang J Y, Zhu L P, Zhao B H and Lu J G 2006 Appl. Surf. Sci. 253 1903
[21]	Kumar M, Kim T H, Kim S S and Lee B T 2006 Appl. Phys. Lett. 89 112103
[22]	Chen L L, Lu J G, Ye Z Z, Lin Y M, Zhao B H, Ye Y M, Li J S and Zhu L P 2005 Appl. Phys. Lett. 87 252106
[23]	Cao Y, Miao L, Tanemura S, Tanemura M, Kuno Y and Hayashi Y 2006 Appl. Phys. Lett. 88 251116
[24]	Huang G Y, Wang Ch Y and Wang J T 2009 Scripta Materialia 61 324
[25]	Shen Y Q, Mi L, Xu X F, Wu J D, Wang P N, Ying Zh F and Xu N 2008 Solid State Commun. 148 301
[26]	Duan X Y, Zhao Y J and Yao R H 2008 Solid State Commun. 147 194
[27]	Zuo C Y, Wen J and Bai Y L 2010 Chin. Phys. B 19 047101
[28]	Liu X C, Lu ZH and Zhang F M 2010 Chin. Phys. B 19 027502
[29]	Huang G Y, Wang C Y and Wang J T 2010 Chin. Phys. B 19 013101
[30]	Vispute R D, Talyansky V, Choopun S, Sharma P P, Venkatesan T, He M, Tang X, Halpern J B, Spencer M G, Li Y X and Salamanca-Riba L G 1998 Appl. Phys. Lett. 73 348
[31]	Kress G and Furthmuller J 1996 Phys. Rev. B 54 11169
[32]	Hamarm D R, Schhter M and Chiang C 1979 Phys. Rev. Lett. 43 1494
[33]	Perdew J P, Chevary J A, Vosko S H, Jackson K A, Perderson M R and Singh D J 1992 Phys. Rev. B 46 6671
[34]	Schleife A, Fuchs F, Furthmuller J and Bechstedt F 2006 Phys. Rev. B 73 245212
[35]	Wardle M G, Goss J P and Briddon P R 2006 Phys. Rev. Lett. 96 205504
[36]	Imai Y, Watanabe A and Shimono I 2003 J. Mater. Sci. --Mater. Electron. 14 149
[37]	Oshikiri M, Aryasetiawan F, Imanaka Y and Kido G 2002 Phys. Rev. B 66 125204
[38]	Oshikiri M, Imanaka Y, Aryasetiawan F and Kido G 2001 Physica B 298 472
[39]	Zhou C and Kang J 2004 13th International Conference on Semiconducting and Insulating Materials SIMC-XIII-2004, Beijing, September, pp81--84
[40]	Pearton S J, Norton D P, Ip K, Heo Y W and Steiner T 2004 J. Vac. Sci. Technol. B 22 932
[41]	Wang L and Giles N C 2004 Appl. Phys. Lett. 84 3049
[42]	Thonke K, Gruber Th, Teofilov N, Sch"onfelder R, Waag A and Sauer R 2001 Physica B 308--310 945 endfootnotesize

Comparisons of ZnO codoped by group IIIA elements (Al, Ga, In) and N: a first-principle study

Comparisons of ZnO codoped by group IIIA elements (Al, Ga, In) and N: a first-principle study

PDF (PC)

赞

可视化

摘要/Abstract

引用本文

使用本文

参考文献 42

相关文章 15

Metrics

本文评价

推荐阅读 0

[1]	Yinzhe Liu(刘寅哲), Kewei Liu(刘可为), Jialin Yang(杨佳霖), Zhen Cheng(程祯), Dongyang Han(韩冬阳), Qiu Ai(艾秋), Xing Chen(陈星), Yongxue Zhu(朱勇学), Binghui Li(李炳辉), Lei Liu(刘雷), and Dezhen Shen(申德振). Boosting the performance of crossed ZnO microwire UV photodetector by mechanical contact homo-interface barrier[J]. 中国物理B, 2022, 31(10): 106101-106101.
[2]	Jianwei Ben(贲建伟), Jiangliu Luo(罗江流), Zhichen Lin(林之晨), Xiaojuan Sun(孙晓娟), Xinke Liu(刘新科), and Xiaohua Li(黎晓华). Introducing voids around the interlayer of AlN by high temperature annealing[J]. 中国物理B, 2022, 31(7): 76104-076104.
[3]	Wen-Lu Yang(杨文璐), Lin-An Yang(杨林安), Fei-Xiang Shen(申飞翔), Hao Zou(邹浩), Yang Li(李杨), Xiao-Hua Ma(马晓华), and Yue Hao(郝跃). Current oscillation in GaN-HEMTs with p-GaN islands buried layer for terahertz applications[J]. 中国物理B, 2022, 31(5): 58505-058505.
[4]	Zheng-Zhao Lin(林正兆), Ling Lü(吕玲), Xue-Feng Zheng(郑雪峰), Yan-Rong Cao(曹艳荣), Pei-Pei Hu(胡培培), Xin Fang(房鑫), and Xiao-Hua Ma(马晓华). Effect of heavy ion irradiation on the interface traps of AlGaN/GaN high electron mobility transistors[J]. 中国物理B, 2022, 31(3): 36103-036103.
[5]	Shan Feng(冯山), Ming Jiang(姜明), Qi-Hang Qiu(邱启航), Xiang-Hua Peng(彭祥花), Hai-Yan Xiao(肖海燕), Zi-Jiang Liu(刘子江), Xiao-Tao Zu(祖小涛), and Liang Qiao(乔梁). First-principles study of stability of point defects and their effects on electronic properties of GaAs/AlGaAs superlattice[J]. 中国物理B, 2022, 31(3): 36104-036104.
[6]	Jia-Le Tang(唐家乐) and Chao Liu(刘超). Removal of GaN film over AlGaN with inductively coupled BCl₃/Ar atomic layer etch[J]. 中国物理B, 2022, 31(1): 18101-018101.
[7]	Xing-Yi Tan(谭兴毅), Lin-Jie Ding(丁林杰), and Da-Hua Ren(任达华). Band alignment in SiC-based one-dimensional van der Waals homojunctions[J]. 中国物理B, 2021, 30(12): 126102-126102.
[8]	Kai-Heng Shao(邵凯恒), Yu-Min Zhang(张育民), Jian-Feng Wang(王建峰), and Ke Xu(徐科). Dislocation slip behaviors in high-quality bulk GaN investigated by nanoindentation[J]. 中国物理B, 2021, 30(11): 116104-116104.
[9]	Jiyu Dong(董继宇), Kang Lin(林康), Congpu Mu(牟从普), Zhiyan Jia(贾智研), Jin Xu(徐瑾), Anmin Nie(聂安民), Bochong Wang(王博翀), Jianyong Xiang(向建勇), Fusheng Wen(温福昇), Kun Zhai(翟昆), Tianyu Xue(薛天宇), and Zhongyuan Liu(柳忠元). Photoemission oscillation in epitaxially grown van der Waals β-In₂Se₃/WS₂ heterobilayer bubbles[J]. 中国物理B, 2021, 30(11): 117901-117901.
[10]	Xin Liang(梁信), Hua Zhou(周华), Hui-Qiong Wang(王惠琼), Lihua Zhang(张丽华), Kim Kisslinger, and Junyong Kang(康俊勇). Nanoscale structural investigation of Zn_1-xMg_xO alloy films on polar and nonpolar ZnO substrates with different Mg contents[J]. 中国物理B, 2021, 30(9): 96107-096107.
[11]	Yue Zhao(赵越), Jin-Hao Zang(臧金浩), Xun Yang(杨珣), Xue-Xia Chen(陈雪霞), Yan-Cheng Chen(陈彦成), Kai-Yong Li(李凯永), Lin Dong(董林), and Chong-Xin Shan(单崇新). Deep-ultraviolet and visible dual-band photodetectors by integrating Chlorin e6 with Ga₂O₃[J]. 中国物理B, 2021, 30(7): 78504-078504.
[12]	Lijie Huang(黄黎杰), Lin Li(李琳), Zhen Shang(尚震), Mao Wang(王茂), Junjie Kang(康俊杰), Wei Luo(罗巍), Zhiwen Liang(梁智文), Slawomir Prucnal, Ulrich Kentsch, Yanda Ji(吉彦达), Fabi Zhang(张法碧), Qi Wang(王琦), Ye Yuan(袁冶), Qian Sun(孙钱), Shengqiang Zhou(周生强), and Xinqiang Wang(王新强). Structure and luminescence of a-plane GaN on r-plane sapphire substrate modified by Si implantation[J]. 中国物理B, 2021, 30(5): 56104-056104.
[13]	. [J]. 中国物理B, 2021, 30(4): 40502-.
[14]	. [J]. 中国物理B, 2021, 30(4): 43101-.
[15]	. [J]. 中国物理B, 2021, 30(3): 36101-.