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XIAOHUA YU1,* , GUIRONG SHAO1, HUIXIA SUN1
Based on the first-principle plane wave pseudopotential method, the bonding structure, E-Mulliken population, band structure and density of state (DOS) of Zn and Be substituted and interstitial doping GaAs models were calculated. Result showed that substitution doped GaAs materials were easier to form, they showed p-type characteristic and were suitable for the preparation of photocathodes. The Zn substitution doped GaAs showed better p-type property. Interstitially doping introduced mid-gap state and exhibited n-type characteristics. The change of the DOS in the Zn-Sub model was more obvious than that in the Be-Sub model. The change of DOS in Be-Inter model is more obvious than that in Zn-Inter model..
Semiconductors, Doping, Electronic structure, First-principles.
XIAOHUA YU, GUIRONG SHAO, HUIXIA SUN, Electronic structure of Zn and Be doped GaAs photocathodes: a first-principles research, Optoelectronics and Advanced Materials - Rapid Communications, 14, 3-4, March-April 2020, pp.123-127 (2020).
Submitted at: July 9, 2019
Accepted at: April 9, 2020
Optoelectronics and Advanced Materials - Rapid Communications
(2024): Impact Factor = 0.4 - Journal Citation Reports (Clarivate Analytics, 2025)
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