Study of electronic structure and optical propertise of  -AlON crystal

Pan Lei; Lu Tie-Cheng; Su Rui; Wang Yue-Zhong; Qi Jian-Qi; Fu Jia; Zhang Yi; He Duan-Wei

doi:10.7498/aps.61.027101

Abstract

Based on the density function theory, the electronic structure, densities of states, and optical properties of -AlON are calculated by using the local density approximation and plane-wave pseudoptential method. The complex dielectric functions and the optical properties including refractive index, reflection spectra, absorption spectra of -AlON are analyzed in terms of calculated density of state. As shown by the theoretical calculation, the static dielectric function of -AlON is 1(0)=2.60, and the refractive index is n0=1.61, its absorptions in a range from IR to NUV and a UV range up to 20.23eV all approach to zero, showing the optical transparent behaviors . The calculated results are consistent with relevant experimental values, providing theoretical basis and reference for the application of the optical material to windows and domes.

Keywords:

Authors and contacts

1.
College of Physical Science and Technology, Sichuan University, Chengdu 610064, China;
2.
Key Laboratory of Radiation Physics and Technology of Ministry of Education, Sichuan University ,Chengdu 610064, China;
3.
Institute of Atomic and Molecular Physics, Sichuan University, Chengdu 610065, China
Funds: Project sponsored by the National Natural Science Foundation of China (Grant No.50872083), the Foud of Aeronautics Science(Grant No.20100119003), and the Fundamental Research Funds for the Central Universities(Grant No.2009SCU11126).

References

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[10]	Kresse G, Hanfner J 1993 Phys. Rev. B 47 558
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[12]	Kresse G, Hanfner J 1994 J. Phys: Condens Matter. 6 8245
[13]	Monkhorst H J, Pack D J 1976 Phys. Rev. B 13 5188
[14]	Huang K 1988 Solid-State Physics (Beijing: Higher Education Press) (in Chinese) [黄昆 1988 固体物理学 (北京: 高等教育出版社)]
[15]	Shen X C 2002 The Spectrum and Optical Property of Semiconductor (Beijing: Science Press) (in Chinese) [沈学础 2002 半导体光谱和光学性质 (第二版) (北京: 科学出版社)]
[16]	French R H 1990 J. Am. Ceram. Soc. 73 477
[17]	Li Z Q, Yin Y L, Liu X D, Li L Y, Liu H, Song Q G 2009 J. Appl. Phys.106 083701
[18]	Dantas J M, Lalic M V 2010 Optical Materials 32 1633
[19]	Zhang J K, Deng S H, Jin H, Liu Y L 2007 Acta Phys. Sin. 56 5371 (in Chinese) [张金奎, 邓胜华, 金慧, 刘悦林 2007 物理学报 56 5371]
[20]	Cui D M, Xie Q, Chen Q, Zhao F J, Li X Z 2010 Acta Phys. Sin. 59 2027 (in Chinese) [崔冬萌, 谢泉, 陈茜, 赵凤娟, 李旭珍 2010 物理学报 59 2027]
[21]	Edward D P 1991 Handbook of Optical Constants of Solids II (California: Academic Press)
[22]	Fang R C 2001 Solid State Spectroscopy (Hefei: University of Science and Technology of China Press) (in chinese) [方容川 2001 固体光谱学 (合肥: 中国科学技术大学出版社)]

Cited By

[1]	McCauley J M 1978 J. Am. Ceram. Soc. 61 372
[2]	McCauley J M Corbin N D 1979 J. Am. Ceram. Soc. 62 476
[3]	Hartnett T M, Maguire E A, Gentilman R L, Corbin N D, Mc- Cauley J W 1982 Cera. Eng. and Sci. Proc. 3 67
[4]	McCauley J M, Parimal P, Mingwei C, Gilde G, Strassburger E, Paliwal B, Ramesh K T, Dandekar D P 2009 J. Eur. Ceram. Soc. 29 223
[5]	Chang M F, Rudi M, Hubertus T H, Gijsbertus D W 2001 J. Am. Ceram. Soc. 84 2633
[6]	Onyekwelu U O, Lowther J E 2010 Chemical Physics Letters 494 323
[7]	Alay-e-Abbas S M, Sabir N, Saeed Y, Shaukat A 2010 J. Alloys. Compd 503 10
[8]	Yue L C, Ma X G, Tang H, Wang Y, Li X, Jiang J J, 2010 Acta Phys. Sin. 59 1314 (in Chinese) [乐伶聪, 马新国, 唐豪, 王扬, 李翔, 江建军 2010 物理学报 59 1314]
[9]	Hohenberg P, Kohn W 1964 Phys.Rev. 136 B864
[10]	Kresse G, Hanfner J 1993 Phys. Rev. B 47 558
[11]	Kresse G, Furthmuller 1996 J.Comput Mater Sci. 6 15
[12]	Kresse G, Hanfner J 1994 J. Phys: Condens Matter. 6 8245
[13]	Monkhorst H J, Pack D J 1976 Phys. Rev. B 13 5188
[14]	Huang K 1988 Solid-State Physics (Beijing: Higher Education Press) (in Chinese) [黄昆 1988 固体物理学 (北京: 高等教育出版社)]
[15]	Shen X C 2002 The Spectrum and Optical Property of Semiconductor (Beijing: Science Press) (in Chinese) [沈学础 2002 半导体光谱和光学性质 (第二版) (北京: 科学出版社)]
[16]	French R H 1990 J. Am. Ceram. Soc. 73 477
[17]	Li Z Q, Yin Y L, Liu X D, Li L Y, Liu H, Song Q G 2009 J. Appl. Phys.106 083701
[18]	Dantas J M, Lalic M V 2010 Optical Materials 32 1633
[19]	Zhang J K, Deng S H, Jin H, Liu Y L 2007 Acta Phys. Sin. 56 5371 (in Chinese) [张金奎, 邓胜华, 金慧, 刘悦林 2007 物理学报 56 5371]
[20]	Cui D M, Xie Q, Chen Q, Zhao F J, Li X Z 2010 Acta Phys. Sin. 59 2027 (in Chinese) [崔冬萌, 谢泉, 陈茜, 赵凤娟, 李旭珍 2010 物理学报 59 2027]
[21]	Edward D P 1991 Handbook of Optical Constants of Solids II (California: Academic Press)
[22]	Fang R C 2001 Solid State Spectroscopy (Hefei: University of Science and Technology of China Press) (in chinese) [方容川 2001 固体光谱学 (合肥: 中国科学技术大学出版社)]

Catalog

Vol. 61, Issue 2 - 2012-01-20

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