Electronic structure and optical properties of Co doped AlN from first-principles study

Yun Xiao Dai; Zhi You Guo; Hong Tao Zhao; Wei Cong Yan; Peng Wang

doi:10.1109/AOM.2010.5713540

Electronic structure and optical properties of Co doped AlN from first-principles study

Yun Xiao Dai, Zhi You Guo, Hong Tao Zhao, Wei Cong Yan, Peng Wang

Research output: Chapter in Book/Report/Conference proceeding › Conference contribution › peer-review

Abstract

The geometrical structure and Hubbard U parameter optimization and correction of Co doped 48-atom supercell of AlN was optimiazed by using the ultra-soft pseudopotential method of total-energy plane wave based on the density functional theory (DFT), combined with the generalized gradient approximation (GGA) in this paper.The structure of Co doped AlN, bands and optical properties have been calculated and analyzed.The results show that Compared with the undoped AlN, Co doped AlN have band gap decreased and the absorption for the UV - visible light was enhanced.

Original language	English
Title of host publication	2010 OSA-IEEE-COS Advances in Optoelectronics and Micro/Nano-Optics, AOM 2010
DOIs	https://doi.org/10.1109/AOM.2010.5713540
State	Published - 2010
Externally published	Yes
Event	2010 OSA-IEEE-COS Advances in Optoelectronics and Micro/Nano-Optics, AOM 2010 - Guangzhou, China Duration: 3 Dec 2010 → 6 Dec 2010

Publication series

Name	2010 OSA-IEEE-COS Advances in Optoelectronics and Micro/Nano-Optics, AOM 2010

Conference

Conference	2010 OSA-IEEE-COS Advances in Optoelectronics and Micro/Nano-Optics, AOM 2010
Country/Territory	China
City	Guangzhou
Period	3/12/10 → 6/12/10

Keywords

AlN
Co
Frist-principles
Optical properties

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10.1109/AOM.2010.5713540

Cite this

Dai, Y. X., Guo, Z. Y., Zhao, H. T., Yan, W. C., & Wang, P. (2010). Electronic structure and optical properties of Co doped AlN from first-principles study. In 2010 OSA-IEEE-COS Advances in Optoelectronics and Micro/Nano-Optics, AOM 2010 Article 5713540 (2010 OSA-IEEE-COS Advances in Optoelectronics and Micro/Nano-Optics, AOM 2010). https://doi.org/10.1109/AOM.2010.5713540

@inproceedings{2711e7138460450aa6be5554d3afe552,

title = "Electronic structure and optical properties of Co doped AlN from first-principles study",

abstract = "The geometrical structure and Hubbard U parameter optimization and correction of Co doped 48-atom supercell of AlN was optimiazed by using the ultra-soft pseudopotential method of total-energy plane wave based on the density functional theory (DFT), combined with the generalized gradient approximation (GGA) in this paper.The structure of Co doped AlN, bands and optical properties have been calculated and analyzed.The results show that Compared with the undoped AlN, Co doped AlN have band gap decreased and the absorption for the UV - visible light was enhanced.",

keywords = "AlN, Co, Frist-principles, Optical properties",

author = "Dai, {Yun Xiao} and Guo, {Zhi You} and Zhao, {Hong Tao} and Yan, {Wei Cong} and Peng Wang",

year = "2010",

doi = "10.1109/AOM.2010.5713540",

language = "English",

isbn = "9781424483938",

series = "2010 OSA-IEEE-COS Advances in Optoelectronics and Micro/Nano-Optics, AOM 2010",

booktitle = "2010 OSA-IEEE-COS Advances in Optoelectronics and Micro/Nano-Optics, AOM 2010",

note = "2010 OSA-IEEE-COS Advances in Optoelectronics and Micro/Nano-Optics, AOM 2010 ; Conference date: 03-12-2010 Through 06-12-2010",

}

Dai, YX, Guo, ZY, Zhao, HT, Yan, WC & Wang, P 2010, Electronic structure and optical properties of Co doped AlN from first-principles study. in 2010 OSA-IEEE-COS Advances in Optoelectronics and Micro/Nano-Optics, AOM 2010., 5713540, 2010 OSA-IEEE-COS Advances in Optoelectronics and Micro/Nano-Optics, AOM 2010, 2010 OSA-IEEE-COS Advances in Optoelectronics and Micro/Nano-Optics, AOM 2010, Guangzhou, China, 3/12/10. https://doi.org/10.1109/AOM.2010.5713540

Electronic structure and optical properties of Co doped AlN from first-principles study. / Dai, Yun Xiao; Guo, Zhi You; Zhao, Hong Tao et al.
2010 OSA-IEEE-COS Advances in Optoelectronics and Micro/Nano-Optics, AOM 2010. 2010. 5713540 (2010 OSA-IEEE-COS Advances in Optoelectronics and Micro/Nano-Optics, AOM 2010).

Research output: Chapter in Book/Report/Conference proceeding › Conference contribution › peer-review

TY - GEN

T1 - Electronic structure and optical properties of Co doped AlN from first-principles study

AU - Dai, Yun Xiao

AU - Guo, Zhi You

AU - Zhao, Hong Tao

AU - Yan, Wei Cong

AU - Wang, Peng

PY - 2010

Y1 - 2010

N2 - The geometrical structure and Hubbard U parameter optimization and correction of Co doped 48-atom supercell of AlN was optimiazed by using the ultra-soft pseudopotential method of total-energy plane wave based on the density functional theory (DFT), combined with the generalized gradient approximation (GGA) in this paper.The structure of Co doped AlN, bands and optical properties have been calculated and analyzed.The results show that Compared with the undoped AlN, Co doped AlN have band gap decreased and the absorption for the UV - visible light was enhanced.

AB - The geometrical structure and Hubbard U parameter optimization and correction of Co doped 48-atom supercell of AlN was optimiazed by using the ultra-soft pseudopotential method of total-energy plane wave based on the density functional theory (DFT), combined with the generalized gradient approximation (GGA) in this paper.The structure of Co doped AlN, bands and optical properties have been calculated and analyzed.The results show that Compared with the undoped AlN, Co doped AlN have band gap decreased and the absorption for the UV - visible light was enhanced.

KW - AlN

KW - Co

KW - Frist-principles

KW - Optical properties

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U2 - 10.1109/AOM.2010.5713540

DO - 10.1109/AOM.2010.5713540

M3 - Conference contribution

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SN - 9781424483938

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BT - 2010 OSA-IEEE-COS Advances in Optoelectronics and Micro/Nano-Optics, AOM 2010

T2 - 2010 OSA-IEEE-COS Advances in Optoelectronics and Micro/Nano-Optics, AOM 2010

Y2 - 3 December 2010 through 6 December 2010

ER -

Electronic structure and optical properties of Co doped AlN from first-principles study

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