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采用基于密度泛函理论(DFT)的第一性原理平面波超软赝势(USPP)法, 在广义梯度近似(GGA)下计算了本征β-Ga2O3和Si掺杂β-Ga2O3的能带结构、电子态密度、差分电荷密度和光学特性. 在蓝宝石衬底(0001)晶面上用脉冲激光沉积(PLD)法制备了本征β-Ga2O3和Si掺杂β-Ga2O3薄膜, 测量了其吸收光谱和反射光
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关键词:
- 第一性原理 /
- 超软赝势 /
- 密度泛函理论 /
- Si掺杂β-Ga2O3
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[2] Ueda U, Hosono H, Waseda R, Kawazoe H 1997 Appl. Phys. Lett. 71 933
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[5] Litimein F, Rached D, Khenata R, Baltache H 2009 J. Alloy. Compd. 20516 9
[6] Hai B, Xu F Q, 2004 Chin. Phys. 13 2126
[7] Ye H G, Chen G De, Zhu Y Z, Lü H M 2007 Chin. Phys. 16 3803
[8] Guang Q P, Chang T X, Yong J D B, Wu T W, Jun X 2008 Scripta. Materialia. 58 943
[9] Xing H Y, Fan G H, Zhang Y, Zhao D G 2009 Acta Phys. Sin. 58 450 (in Chinese) [邢海英、范广涵、章 勇、赵德刚 2009 物理学报 58 450]
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[11] Tang X, Lü H F, Ma C Y, Zhao J J, Zhang Q Y 2008 Acta Phys. Sin. 57 1066 (in Chinese) [唐 鑫、吕海峰、马春雨、赵纪军、张庆瑜2008物理学报 57 1066]
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[15] Kiyoshi S, Encarnación G. V, Takekazu U, Kazuo A 2008 Appl. Phys. Lett. 92 201914
[16] M Yamaga 2003 Phys. Rev. B 68 155207
[17] Takakura K, Koga D, Ohyama H, Rafi J M, Kayamoto Y, Shibuya M, Yamamoto H, Vanhellemont J 2009 Physica B 404 4854
[18] He H Y, Orlando R, Miguel A, Blanco R P 2006 Phys. Rev. B 74 195123
[19] Zhang J G, Xiao C Q, Wu F 2005 Journal. of Synthetic. Craystals 34 67 (in Chinese) [张俊刚、夏长泰、吴 锋. 裴广庆、徐 军 2005 人工晶体学报 34 67]
[20] Xing H Y, Fan G H, Zhou T M 2009 Acta Phys. Sin. 58 3324 (in Chinese) [邢海英、范广涵、周天明2009 物理学报 58 3324]
[21] Liu Q, Cheng X L, Yang X D, Fan Y H 2009 Acta Phys. Sin.
[22] Deng Z H, Yan J F, Zhang F C, Wang X. W, Xu J P, Zhang Z Y 2007 Acta. Photonica Sinica 36 110
[23] Keiji W, Masatoshi S, Hideaki T 1999 J. Electroanal. Chem. 473 250
[24] Wang Q X, Xiong Z H, Rao J P, Dai J N, Le S P, Wang G P, Jiang F Y 2007 Chnese. Journal. of Semiconductors 28 698 (in Chinese) [万齐欣、熊志华、饶建平、戴江南、乐淑萍、王古平、江风益 2007 半导体学报 28 698]
[25] Vanderbilt D 1990 Phys. Rev. B 41 7892
[26] Feng J, Xiao B, Chen J C, Zhou T C 2009 Solid State Sci. 11 259
[27] Ouyang X F, Shi S I, Ouyang C Y, Jiang D Y, Liu D S, Ye Z Q, Lei M S 2007 Chin. Phys. 16 3042
[28] Gagarin S G, Kolbanovskii Y A, Polak L S 1972 Theoretical And Experimental Chemistry 8 216
[29] Monkhorst H J, Pack J D 1976 Phys. Rev. B 13 5188
[30] Pack J D, Monkhorst H J 1977 Phys. Rev. B 16 1748
[31] Bnite L, gouurier D, Minot C J 1994 Solid State. Chem. 113 420
[32] Albanesi E A, Sferco S J, Lefebvre I, Allan G, Hollinger G 1992 Phys. Rev. 46 13260
[33] Xing H Y, Fan G H, Zhao D G, He M, Zhang Y, Zhou T M, 2008 Acta Phys. Sin. 57 6513 (in Chinese) [邢海英、范广涵、赵德刚、何 苗、章 勇、周天明 2008 物理学报 57 6513]
[34] Yuan Y 2006 MS Thesis ( Zhejiang: Zhejiang University)(in Chinese) [袁 苑 2001 硕士论文(浙江: 浙江大学)]
[35] Feng J, Xiao B, Chen J C, Zhou T C 2009 Solid State Communications 149 1569
[36] Shen Y B, Zhou X, Xu M, Ding Y C, Duan M Y, Linghu R F, 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]
[37] Chen K, Fan G. H, Zhang Y 2008 Acta. Phys. Sini. 57 1054 (in Chinese) [陈 琨、范广涵、章 勇 2008 物理学报57 1054]
-
[1] Tippins H H 1965 Phys. Rev. 140 A316
[2] Ueda U, Hosono H, Waseda R, Kawazoe H 1997 Appl. Phys. Lett. 71 933
[3] 58 2684 (in Chinese) [刘 强、程新路、杨向东、范勇恒 2009 物理学报 58 2684]
[4] Kenji Y 2004 Solid. State. Commun. 131 739
[5] Litimein F, Rached D, Khenata R, Baltache H 2009 J. Alloy. Compd. 20516 9
[6] Hai B, Xu F Q, 2004 Chin. Phys. 13 2126
[7] Ye H G, Chen G De, Zhu Y Z, Lü H M 2007 Chin. Phys. 16 3803
[8] Guang Q P, Chang T X, Yong J D B, Wu T W, Jun X 2008 Scripta. Materialia. 58 943
[9] Xing H Y, Fan G H, Zhang Y, Zhao D G 2009 Acta Phys. Sin. 58 450 (in Chinese) [邢海英、范广涵、章 勇、赵德刚 2009 物理学报 58 450]
[10] Wang Z J, Li S C, Wang L Y 2009 Chin. Phys. B 18 2992
[11] Tang X, Lü H F, Ma C Y, Zhao J J, Zhang Q Y 2008 Acta Phys. Sin. 57 1066 (in Chinese) [唐 鑫、吕海峰、马春雨、赵纪军、张庆瑜2008物理学报 57 1066]
[12] Yang Z J, Guo Y D, Li J, Liu J C, Dai W, Cheng X L, Yang X D 2010 Chin. Phys. B 19 077102
[13] Shigeo O, Norihito S Z K, Naoki A, Masahiko T, Takamasa S, Kazuo N, Toetsu S 2008 Thin. Solid. Films. 516 5763
[14] Víllora E G., Shimamura K, Yoshikawa Y, Ujiie T, Aoki K 2008 Appl. Phys. Lett. 92 202120
[15] Kiyoshi S, Encarnación G. V, Takekazu U, Kazuo A 2008 Appl. Phys. Lett. 92 201914
[16] M Yamaga 2003 Phys. Rev. B 68 155207
[17] Takakura K, Koga D, Ohyama H, Rafi J M, Kayamoto Y, Shibuya M, Yamamoto H, Vanhellemont J 2009 Physica B 404 4854
[18] He H Y, Orlando R, Miguel A, Blanco R P 2006 Phys. Rev. B 74 195123
[19] Zhang J G, Xiao C Q, Wu F 2005 Journal. of Synthetic. Craystals 34 67 (in Chinese) [张俊刚、夏长泰、吴 锋. 裴广庆、徐 军 2005 人工晶体学报 34 67]
[20] Xing H Y, Fan G H, Zhou T M 2009 Acta Phys. Sin. 58 3324 (in Chinese) [邢海英、范广涵、周天明2009 物理学报 58 3324]
[21] Liu Q, Cheng X L, Yang X D, Fan Y H 2009 Acta Phys. Sin.
[22] Deng Z H, Yan J F, Zhang F C, Wang X. W, Xu J P, Zhang Z Y 2007 Acta. Photonica Sinica 36 110
[23] Keiji W, Masatoshi S, Hideaki T 1999 J. Electroanal. Chem. 473 250
[24] Wang Q X, Xiong Z H, Rao J P, Dai J N, Le S P, Wang G P, Jiang F Y 2007 Chnese. Journal. of Semiconductors 28 698 (in Chinese) [万齐欣、熊志华、饶建平、戴江南、乐淑萍、王古平、江风益 2007 半导体学报 28 698]
[25] Vanderbilt D 1990 Phys. Rev. B 41 7892
[26] Feng J, Xiao B, Chen J C, Zhou T C 2009 Solid State Sci. 11 259
[27] Ouyang X F, Shi S I, Ouyang C Y, Jiang D Y, Liu D S, Ye Z Q, Lei M S 2007 Chin. Phys. 16 3042
[28] Gagarin S G, Kolbanovskii Y A, Polak L S 1972 Theoretical And Experimental Chemistry 8 216
[29] Monkhorst H J, Pack J D 1976 Phys. Rev. B 13 5188
[30] Pack J D, Monkhorst H J 1977 Phys. Rev. B 16 1748
[31] Bnite L, gouurier D, Minot C J 1994 Solid State. Chem. 113 420
[32] Albanesi E A, Sferco S J, Lefebvre I, Allan G, Hollinger G 1992 Phys. Rev. 46 13260
[33] Xing H Y, Fan G H, Zhao D G, He M, Zhang Y, Zhou T M, 2008 Acta Phys. Sin. 57 6513 (in Chinese) [邢海英、范广涵、赵德刚、何 苗、章 勇、周天明 2008 物理学报 57 6513]
[34] Yuan Y 2006 MS Thesis ( Zhejiang: Zhejiang University)(in Chinese) [袁 苑 2001 硕士论文(浙江: 浙江大学)]
[35] Feng J, Xiao B, Chen J C, Zhou T C 2009 Solid State Communications 149 1569
[36] Shen Y B, Zhou X, Xu M, Ding Y C, Duan M Y, Linghu R F, 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]
[37] Chen K, Fan G. H, Zhang Y 2008 Acta. Phys. Sini. 57 1054 (in Chinese) [陈 琨、范广涵、章 勇 2008 物理学报57 1054]
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