First-Principles Study on Ga-N Co-Doped P-Type ZnO

Hong Sheng Zhao; Yu Dan Gu; Nan Zhang; Ya Hong Gao

doi:10.4028/www.scientific.net/AMR.299-300.498

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HomeAdvanced Materials ResearchAdvanced Materials Research Vols. 299-300First-Principles Study on Ga-N Co-Doped P-Type ZnO

First-Principles Study on Ga-N Co-Doped P-Type ZnO

Abstract:

Based on the density functional theory, the structure of pure ZnO, N doped, and Ga-N/Ga-2N co-doped wurtzite ZnO was calculated by using first-principle plane wave ultrasoft pseudopotential method. Electronic structures of these ZnO-based doping syetems were studied. The calculations of band structure, total density of states, and partial density of states show that Ga-2N donor/acceptor co-doped ZnO is easier to implement the p-type ZnO than other cases.

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Advanced Materials Research (Volumes 299-300)

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498-502

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https://doi.org/10.4028/www.scientific.net/AMR.299-300.498

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July 2011

Authors:

Hong Sheng Zhao, Yu Dan Gu, Nan Zhang, Ya Hong Gao

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Electronic Structure, First-Principle Calculations, P-Type Codoping, Zinc Oxide (ZnO)

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