Density Functional Theory Study on Defect Feature of AsGaGaAs in Gallium Arsenide
Joint Authors
Ma, Deming
Chen, Xi
Qiao, Hongbo
Wang, Wei
Shi, Wei
Li, Enling
Source
Issue
Vol. 2015, Issue 2015 (31 Dec. 2015), pp.1-5, 5 p.
Publisher
Hindawi Publishing Corporation
Publication Date
2015-10-26
Country of Publication
Egypt
No. of Pages
5
Main Subjects
Abstract EN
We investigate the defect feature of A s Ga G a As defect in gallium arsenide clusters in detail by using first-principles calculations based on the density functional theory (DFT).
Our calculations reveal that the lowest donor level of A s Ga G a As defect on the gallium arsenide crystal surface is 0.85 eV below the conduction band minimum, while the lowest donor level of the A s Ga G a As defect inside the gallium arsenide bulk is 0.83 eV below the bottom of the conduction band, consistent with gallium arsenide EL2 defect level of experimental value (Ec-0.82 eV).
This suggests that A s Ga G a As defect is one of the possible gallium arsenide EL2 deep-level defects.
Moreover, our results also indicate that the formation energies of internal A s Ga G a As and surface A s Ga G a As defects are predicted to be around 2.36 eV and 5.54 eV, respectively.
This implies that formation of A s Ga G a As defect within the crystal is easier than that of surface.
Our results offer assistance in discussing the structure of gallium arsenide deep-level defect and its effect on the material.
American Psychological Association (APA)
Ma, Deming& Chen, Xi& Qiao, Hongbo& Wang, Wei& Shi, Wei& Li, Enling. 2015. Density Functional Theory Study on Defect Feature of AsGaGaAs in Gallium Arsenide. Journal of Nanomaterials،Vol. 2015, no. 2015, pp.1-5.
https://search.emarefa.net/detail/BIM-1069150
Modern Language Association (MLA)
Ma, Deming…[et al.]. Density Functional Theory Study on Defect Feature of AsGaGaAs in Gallium Arsenide. Journal of Nanomaterials No. 2015 (2015), pp.1-5.
https://search.emarefa.net/detail/BIM-1069150
American Medical Association (AMA)
Ma, Deming& Chen, Xi& Qiao, Hongbo& Wang, Wei& Shi, Wei& Li, Enling. Density Functional Theory Study on Defect Feature of AsGaGaAs in Gallium Arsenide. Journal of Nanomaterials. 2015. Vol. 2015, no. 2015, pp.1-5.
https://search.emarefa.net/detail/BIM-1069150
Data Type
Journal Articles
Language
English
Notes
Includes bibliographical references
Record ID
BIM-1069150