Electronic structure and optical properties of native point defects on Si-doped GaN (0001) surface

Ying Ju; Lei Liu; Feifei Lu

doi:10.1117/12.2536285

6 December 2019 Electronic structure and optical properties of native point defects on Si-doped GaN (0001) surface

Ying Ju, Lei Liu, Feifei Lu

Proceedings Volume 11371, International Workshop on Thin Films for Electronics, Electro-Optics, Energy, and Sensors 2019; 113710G (2019) https://doi.org/10.1117/12.2536285
Event: International Workshop on Thin Films for Electronics, Electro-Optics, Energy and Sensors, 2019, Reykjavik, Iceland

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 𝑉_𝑁 is not easy to exist and the 𝑉_𝐺𝑎, 𝑁_𝐺𝑎 or 𝑁_𝑖 defects are most likely to appear on the n-type GaN surface. The substitutional defect 𝑁𝐺𝑎 , 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 𝑉_𝐺𝑎, 𝑁_𝐺𝑎 and 𝑁_𝑖 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.

Citation Download Citation

Ying Ju, Lei Liu, and Feifei Lu "Electronic structure and optical properties of native point defects on Si-doped GaN (0001) surface", Proc. SPIE 11371, International Workshop on Thin Films for Electronics, Electro-Optics, Energy, and Sensors 2019, 113710G (6 December 2019); https://doi.org/10.1117/12.2536285

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KEYWORDS

Gallium

Gallium nitride

Chemical species

Silicon

Electrons

Optical properties

Doping

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