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Proceedings Paper

Electronic structure and optical properties of native point defects on Si-doped GaN (0001) surface
Author(s): Ying Ju; Lei Liu; Feifei Lu
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Paper Abstract

This paper investigates the formation energy, atomic structure, electronic structure and optical properties of native point defects on n-GaN (0001) surface based on the first-principles of the density functional theory. The results find that the 𝑉𝑁 is not easy to exist and the π‘‰πΊπ‘Ž, π‘πΊπ‘Ž or 𝑁𝑖 defects are most likely to appear on the n-type GaN surface. The substitutional defect π‘πΊπ‘Ž , the interstitial defect 𝑁𝑖 and the single Ga vacancy cause the conduction band to drop and the Fermi level to enter the conduction band in a deeper extent. However, both the valence band and the conduction band move up at the same time with the increase of Ga vacancies, exhibiting p-type characteristics and reducing the n-type conductivity of the surface. The N-vacancy makes the conduction band shift upwards, which reduces the n-type metal conductivity. It is also found that the reduction of photon adsorption on the surface affects the photo-emission of the surface, which is detrimental to the optoelectronic devices with n-GaN and metal contacts. This study shows that π‘‰πΊπ‘Ž, π‘πΊπ‘Ž and 𝑁𝑖 native point defects all increase the doping difficulty of n-type GaN films and have a certain value for the fabrication of high-performance optoelectronic devices with n-GaN and metal contacts.

Paper Details

Date Published: 6 December 2019
PDF: 16 pages
Proc. SPIE 11371, International Workshop on Thin Films for Electronics, Electro-Optics, Energy, and Sensors 2019, 113710G (6 December 2019); doi: 10.1117/12.2536285
Show Author Affiliations
Ying Ju, Nanjing Univ. of Science and Technology (China)
Lei Liu, Nanjing Univ. of Science and Technology (China)
Feifei Lu, Nanjing Univ. of Science and Technology (China)


Published in SPIE Proceedings Vol. 11371:
International Workshop on Thin Films for Electronics, Electro-Optics, Energy, and Sensors 2019
Partha Banerjee; Karl Gudmundsson; Akhlesh Lakhtakia; Guru Subramanyam, Editor(s)

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