-
The electronic structures and optical properties of pure and Ga-doped wurtzite ZnO are studied by using first-principles plane wave pseudopotential method based on the density functional theory. The bonding of ZnO and changes in density of states are analyzed using of the crystal ligand field theory. Electron concentration is 2.42×1021 cm-3 by calculation, and carrier concentration of ZnO is raised 104 fold by doping Ga. Analysis of dielectric function, refractive index, absorption spectrum and reflectance spectrum of pure and Ga-doped ZnO shows that the optical absorption edge moving to high energy leads optical gap to broaden. In the visible light region, optical absorption coefficient and reflectivity are reduced and optical transmittance is increased significantly. Optical properties of ZnO are improved effectively by Ga doping.
-
Keywords:
- density functional theory /
- density of states /
- optical properties /
- ZnO:Ga
[1] Nomura K, Ohta H, Ueda K, Kamiya T, Hirano M, Hosono H 2003 Science 300 1269
[2] zgür ü, Alivov Y I, Liu C, Teke A, Reshchikov M A, Do an S, Avrutin V, Cho S J, Morko H 2005 J. Appl. Phys. 98 041301
[3] Pearton S J, Norton D P, Ip K, Heoa Y W, Steinerb T 2005 Prog. Mater. Sci. 50 293
[4] Suchea M, Christoulakis S, Moschovis K, Katsarakis N, Kiriakidis G 2006 Thin Solid Films 515 551
[5] Water W, Chu S Y, Juang Y D, Wu S J 2002 Mater. Lett. 57 998
[6] Michelotti F, Belardini A, Rousseau A, Ratsimihety A, Schoer G, Mueller J 2006 J. Non-Cryst Solids 352 2339
[7] Hupkes J, Rech B, Kluth O, Repmanna T, Zwaygardta B, Müllera J, Dreseb R, Wuttig M 2006 Sol. Energy. Mater. Sol. Cells 90 3054
[8] Jeong W J, Kim S K, Park G C 2006 Thin Solid Films 506 180
[9] Novodvorsky O A, Gorbatenko L S, Panchenko V Y, Khramova O D, Cherebilo Y A, Wenzel C, Bartha J W, Bublik V T, Shcherbachev K D 2009 Semiconductors 43 419
[10] Bhosle V, Tiwari A, Narayan J 2006 J. Appl. Phys. 100 033713
[11] Miyake A, Yamada T, Makino H, Yamamoto N, Yamamoto T 2009 Thin Solid Films 517 3130
[12] Zhao H F, Cao Q X, Li J T 2008 Acta Phys. Sin. 57 5828 (in Chinese) [赵慧芳、 曹全喜、 李建涛 2008 57 5828]
[13] Yamamoto T, Katayama Y H 2002 Physica B 302 155
[14] Chen K, Fan G H, Zhang Y 2008 Acta Phys. Sin. 57 1054 (in Chinese) [陈 琨、 范广涵、 章 勇 2008 57 1054]
[15] Shi L B, Li M B, Ren J Y, Wang L J, Xu C Y 2009 Chin. Phys. B 18 733
[16] Duan M Y, Xu M, Zhou H P, Shen Y B, Chen Q Y, Ding Y C, Zhu W J 2007 Acta Phys. Sin. 56 5359 (in Chinese) [段满益、 徐 明、 周海平、 沈益斌、 陈青云、 丁迎春、 祝文军 2007 56 5359]
[17] Tang X, Lü H F, Ma C Y, Zhao J J, Zhang Q Y 2008 Acta Phys. Sin. 57 7806 (in Chinese) [唐 鑫、 吕海峰、 马春雨、 赵纪军、 张庆瑜 2008 57 7806]
[18] Wang Z J, Li S C, Wang L Y, Liu Z 2009 Chin. Phys. B 18 2992
[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] Segall M D, Lindan P J D, Probert M J, Pickard C J, Hasnip P J, Clark S J, Payne M C 2008 J. Phys. : Condens. Matter 14 2717
[21] Aghamalyan N R, Kafadaryan E A, Hovsepyan R K, Petrosyan S I 2005 Semicond. Sci. Technol. 20 80
[22] Look D C, Clafin B, Alivov Y I, Park S J 2004 Phys. Stat. Sol. A 201 2203
[23] Mang A, Reimann K, Rübenacke S 1995 Solid State Commun. 94 251
-
[1] Nomura K, Ohta H, Ueda K, Kamiya T, Hirano M, Hosono H 2003 Science 300 1269
[2] zgür ü, Alivov Y I, Liu C, Teke A, Reshchikov M A, Do an S, Avrutin V, Cho S J, Morko H 2005 J. Appl. Phys. 98 041301
[3] Pearton S J, Norton D P, Ip K, Heoa Y W, Steinerb T 2005 Prog. Mater. Sci. 50 293
[4] Suchea M, Christoulakis S, Moschovis K, Katsarakis N, Kiriakidis G 2006 Thin Solid Films 515 551
[5] Water W, Chu S Y, Juang Y D, Wu S J 2002 Mater. Lett. 57 998
[6] Michelotti F, Belardini A, Rousseau A, Ratsimihety A, Schoer G, Mueller J 2006 J. Non-Cryst Solids 352 2339
[7] Hupkes J, Rech B, Kluth O, Repmanna T, Zwaygardta B, Müllera J, Dreseb R, Wuttig M 2006 Sol. Energy. Mater. Sol. Cells 90 3054
[8] Jeong W J, Kim S K, Park G C 2006 Thin Solid Films 506 180
[9] Novodvorsky O A, Gorbatenko L S, Panchenko V Y, Khramova O D, Cherebilo Y A, Wenzel C, Bartha J W, Bublik V T, Shcherbachev K D 2009 Semiconductors 43 419
[10] Bhosle V, Tiwari A, Narayan J 2006 J. Appl. Phys. 100 033713
[11] Miyake A, Yamada T, Makino H, Yamamoto N, Yamamoto T 2009 Thin Solid Films 517 3130
[12] Zhao H F, Cao Q X, Li J T 2008 Acta Phys. Sin. 57 5828 (in Chinese) [赵慧芳、 曹全喜、 李建涛 2008 57 5828]
[13] Yamamoto T, Katayama Y H 2002 Physica B 302 155
[14] Chen K, Fan G H, Zhang Y 2008 Acta Phys. Sin. 57 1054 (in Chinese) [陈 琨、 范广涵、 章 勇 2008 57 1054]
[15] Shi L B, Li M B, Ren J Y, Wang L J, Xu C Y 2009 Chin. Phys. B 18 733
[16] Duan M Y, Xu M, Zhou H P, Shen Y B, Chen Q Y, Ding Y C, Zhu W J 2007 Acta Phys. Sin. 56 5359 (in Chinese) [段满益、 徐 明、 周海平、 沈益斌、 陈青云、 丁迎春、 祝文军 2007 56 5359]
[17] Tang X, Lü H F, Ma C Y, Zhao J J, Zhang Q Y 2008 Acta Phys. Sin. 57 7806 (in Chinese) [唐 鑫、 吕海峰、 马春雨、 赵纪军、 张庆瑜 2008 57 7806]
[18] Wang Z J, Li S C, Wang L Y, Liu Z 2009 Chin. Phys. B 18 2992
[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] Segall M D, Lindan P J D, Probert M J, Pickard C J, Hasnip P J, Clark S J, Payne M C 2008 J. Phys. : Condens. Matter 14 2717
[21] Aghamalyan N R, Kafadaryan E A, Hovsepyan R K, Petrosyan S I 2005 Semicond. Sci. Technol. 20 80
[22] Look D C, Clafin B, Alivov Y I, Park S J 2004 Phys. Stat. Sol. A 201 2203
[23] Mang A, Reimann K, Rübenacke S 1995 Solid State Commun. 94 251
Catalog
Metrics
- Abstract views: 9669
- PDF Downloads: 1144
- Cited By: 0
下载:
