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HomeAdvanced Materials ResearchAdvanced Materials Research Vol. 900Study on Electronic Structure of GaN under...

Study on Electronic Structure of GaN under Pressure

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Abstract:

A detailed theoretical study of electronic structure and optical properties of GaN under pressure was performed by the first-principles calculations of plane wave ultra-soft pseudo-potential method based on the density functional theory (DFT). The results indicate that Ga-N bond length becomes shorter and the valence bonds shift towards the low energy while the conduction bands towards high energy, the band gap becomes wider with the pressure increasing, and theoretical studies explained the relationship between the band edges, energy gap of GaN and pressure. In addition, the peak in band was cracked slightly, and the Ga 3d-N 2p hybridization was enhanced.

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Advanced Materials and Processing Technologies: IFMPT 2014

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Periodical:

Advanced Materials Research (Volume 900)

Pages:

217-221

DOI:

https://doi.org/10.4028/www.scientific.net/AMR.900.217

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Online since:

February 2014

Authors:

Xing Xiang Ruan, Xian Hui Zhong, Fu Chun Zhang*, Wei Hu Zhang

Keywords:

Electronic Structure, First-Principle, GaN, Pressure

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© 2014 Trans Tech Publications Ltd. All Rights Reserved

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