基于密度泛函理论,计算了Y以及In掺杂BaSnO3的稳定性、电子结构和光学性质.结果表明Y以及In掺杂BaSnO3体系结构稳定,且均为p型透明导电材料,在可见光区透过率大于85％,且Y以及In掺杂BaSnO3体系的导电性明显得到了改善.
参考文献
| [1] | Y. Kwon;Y. Li;Y. W. Heo;M. Jones;P. H. Holloway;D. P. Norton;Z. V. Park;S. Li .Enhancement-mode thin-film field-effect transistor using phosphorus-doped (Zn,Mg)O channel[J].Applied physics letters,2004(14):2685-2687. |
| [2] | J. Siddiqui;E. Cagin;D. Chen;J. D. Phillips .ZnO thin-film transistors with polycrystalline (Ba,Sr)TiO_(3) gate insulators[J].Applied physics letters,2006(21):212903-1-212903-3-0. |
| [3] | Kenji Nomura;Hiromichi Ohta;Kazushige Ueda;Toshio Kamiya;Masahiro Hirano;Hideo Hosono .Thin-Film Transistor Fabricated in Single-Crystalline Transparent Oxide Semiconductor[J].Science,2003(5623):1269-1272. |
| [4] | M. Sakai;K. Seo;Y. Ohkawa;T. Okuda .Electron doping into the surface of SrTiO_3 single crystal by using a field effect transistor structure having a polyvinyl alcohol gate insulator layer[J].Thin Solid Films: An International Journal on the Science and Technology of Thin and Thick Films,2009(18):5502-5507. |
| [5] | Nayak PK;Yang J;Kim J;Chung S;Jeong J;Lee C;Hong Y .Spin-coated Ga-doped ZnO transparent conducting thin films for organic light-emitting diodes[J].Journal of Physics, D. Applied Physics: A Europhysics Journal,2009(3):035102-1-035102-6-0. |
| [6] | Wang, HF;Jiao, XL;Liu, QZ;Xuan, XF;Chen, F;Wu, WB .Transparent and conductive oxide films of the perovskite LaxSr1-xSnO3 (x <= 0.15): epitaxial growth and application for transparent heterostructures[J].Journal of Physics, D. Applied Physics: A Europhysics Journal,2010(3):035403:1-035403:8. |
| [7] | S.J. Pearton;F. Ren;Yu-Lin Wang;B.H. Chu;K.H. Chen;C.Y. Chang;Wantae Lim;Jenshan Lin;D.P. Norton .Recent advances in wide bandgap semiconductor biological and gas sensors[J].Progress in materials science,2010(1):1. |
| [8] | Ellmer, K;Mientus, R .Carrier transport in polycrystalline transparent conductive oxides: A comparative study of zinc oxide and indium oxide[J].Thin Solid Films,2008(14):4620-4627. |
| [9] | Yasushi Hirose;Naoomi Yamada;Shoichiro Nakao;Taro Hitosugi;Toshihiro Shimada;Tetsuya Hasegawa .Large electron mass anisotropy in a d-electron-based transparent conducting oxide:Nb-doped anatase TiO2 epitaxial films[J].Physical review, B. Condensed matter and materials physics,2009(16):165108:1-165108:5. |
| [10] | Heo, GS;Matsumoto, Y;Gim, IG;Lee, HK;Park, JW;Kim, TW .Transparent conducting amorphous Zn-In-Sn-O anode for flexible organic light-emitting diodes[J].Solid State Communications,2010(3/4):223-226. |
| [11] | Tadatsugu Minami;Toshihiro Miyata .Present status and future prospects for development of non- or reduced-indium transparent conducting oxide thin films[J].Thin Solid Films,2008(4):1474-1477. |
| [12] | H. Kim;R.C.Y. Auyeung;A. Pique .Transparent conducting F-doped SnO_2 thin films grown by pulsed laser deposition[J].Thin Solid Films: An International Journal on the Science and Technology of Thin and Thick Films,2008(15):5052-5056. |
| [13] | Yuping Wang;Jianguo Lu;Xun Bie;Li Gong;Xiang Li;Da Song;Xuyang Zhao;Wenyi Ye;Zhizhen Ye .Transparent conductive Al-doped ZnO thin films grown at room temperature[J].Journal of Vacuum Science & Technology, A. Vacuum, Surfaces, and Films,2011(3):031505-1-031505-6. |
| [14] | Hinatsu Y. .ELECTRON PARAMAGNETIC RESONANCE SPECTRA OF PR4+ IN BACEO3, BAZRO3, BASNO3, AND THEIR SOLID SOLUTIONS[J].International Journal of Quantum Chemistry,1996(2):384-389. |
| [15] | Bernhard Ostrick;Maximilian Fleischer;hans Meixner .High-temperature hall measurements on BaSnO_3 ceramics[J].Journal of the American Ceramic Society,1997(8):2153-2156. |
| [16] | Wang, HF;Jiao, XL;Liu, QZ;Xuan, XF;Chen, F;Wu, WB .Transparent and conductive oxide films of the perovskite LaxSr1-xSnO3 (x <= 0.15): epitaxial growth and application for transparent heterostructures[J].Journal of Physics, D. Applied Physics: A Europhysics Journal,2010(3):035403:1-035403:8. |
| [17] | 宋杨,梁淑华.ZnO：Sb掺杂机理的第一性原理研究[J].人工晶体学报,2012(02):528-534. |
| [18] | 雷哲锋,王发展,张立岗,王欣,陈霞,王博,尚志新.Li-N共掺ZnO纳米管的第一性原理研究[J].人工晶体学报,2012(01):221-226. |
| [19] | 杨晨星,刘廷禹,程志君,甘海秀.含氧空位SrTiO3晶体电子结构研究[J].人工晶体学报,2012(01):232-237. |
| [20] | 于立安,金璐,韩敏芳.钙钛矿型氧化物BaBO3-δ（B=Fe、Co、Nb）电子结构和氧空位形成能的第一性原理研究[J].人工晶体学报,2012(03):747-752. |
| [21] | Segall MD.;Lindan PJD.;Probert MJ.;Pickard CJ.;Hasnip PJ.;Clark SJ. Payne MC. .First-principles simulation: ideas, illustrations and the CASTEP code[J].Journal of Physics. Condensed Matter,2002(11):2717-2744. |
| [22] | 谭兴毅,陈长乐,金克新.p型透明导电材料BaSnO3的第一性原理研究[J].物理学报,2011(10):563-567. |
上一张
下一张
上一张
下一张
计量
- 下载量()
- 访问量()
文章评分
- 您的评分：
-
10%
-
20%
-
30%
-
40%
-
50%