Energy Band-gap Calculation of δ-Ta2O5 Using sX-LDA and B3LYP Methods

武汉理工大学学报-材料科学版(英文版), 2015, 30(1): 43-46. doi: 10.1007/s11595-015-1097-6

ZHANG Guanglei ^1, , GUO Xiaoyu ^2, , LI Xuewen ^3, , QIN Guoqiang ^4, , FU Hua ^5,

1.Hebei Provincial Key Laboratory of Traffic Engineering Materials, Shijiazhuang Tiedao University, Shijiazhuang 050043, China

2.School of Materials Science and Engineering, Shijiazhuang Tiedao University, Shijiazhuang 050043, China

3.Zhengzhou Research Institute for Abrasives & Grinding Co., Ltd., Zhengzhou 450001, China

4.School of Materials Science and Engineering, Shijiazhuang Tiedao University, Shijiazhuang 050043, China

5.School of Materials Science and Engineering, Shijiazhuang Tiedao University, Shijiazhuang 050043, China

基金项目: Funded by the National Natural Science Foundation of China (No.51102172),Hebei Natural Science Foundation (No.E2013210038),Colleges and Universities in Hebei Province Science and Technology Research Project (No.YQ2014033),and Hebei Key Discipline Construction Project

Energy Band-gap Calculation of δ-Ta2O5 Using sX-LDA and B3LYP Methods

Keywords： Ta2O5

参考文献

[1]	Fukumoto A.;Miwa K. .PREDICTION OF HEXAGONAL TA2O5 STRUCTURE BY FIRST-PRINCIPLES CALCULATIONS[J].Physical Review.B.Condensed Matter,1997(17):11155-11160.
[2]	Seidl A.;Vogl P.;Majewski JA.;Levy M.;Gorling A. .GENERALIZED KOHN-SHAM SCHEMES AND THE BAND-GAP PROBLEM[J].Physical Review.B.Condensed Matter,1996(7):3764-3774.
[3]	R. M. Fleming;D. V. Lang;C. D. W. Jones .Defect dominated charge transport in amorphous Ta_(2)O_(5) thin films[J].Journal of Applied Physics,2000(2):850-862.

上一张下一张

计量

下载量()
访问量()

作者相关

在本站搜索
ZHANG Guanglei GUO Xiaoyu LI Xuewen QIN Guoqiang FU Hua
在百度学术搜索
ZHANG Guanglei GUO Xiaoyu LI Xuewen QIN Guoqiang FU Hua
在万方数据库搜索
ZHANG Guanglei GUO Xiaoyu LI Xuewen QIN Guoqiang FU Hua
在CNKI搜索
ZHANG Guanglei GUO Xiaoyu LI Xuewen QIN Guoqiang FU Hua

文章评分

您的评分：
1

0%
2

0%
3

0%
4

0%
5

0%

材料期刊网

Energy Band-gap Calculation of δ-Ta2O5 Using sX-LDA and B3LYP Methods

参考文献