Calculation of optical response functions of dilute-N GaPAsN lattice-matched to Si

Dilute-N GaPAsN alloys have great potential for optoelectronics lattice-matched to Si. However, there is a lack of systematic calculation of the optical response of these alloys. The present paper uses the s p 3 d 5 s ∗ s N tight-binding model to calculate the fullband electronic structure of dilute...

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Bibliographic Details
Published in:Journal of applied physics 2020-02, Vol.127 (7)
Main Authors: Zou, Y., Goodnick, S. M.
Format: Article
Language:English
Subjects:
Alloy systems
Applied physics
Brillouin zones
Conduction bands
Dilution
Electric dipoles
Electronic structure
Lattice matching
Nitrides
Optical properties
Optoelectronics
Parameters
Response functions
Valence band
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Summary:Dilute-N GaPAsN alloys have great potential for optoelectronics lattice-matched to Si. However, there is a lack of systematic calculation of the optical response of these alloys. The present paper uses the s p 3 d 5 s ∗ s N tight-binding model to calculate the fullband electronic structure of dilute-N GaPAsN and then calculate the optical response functions considering direct transitions within the electric dipole approximation. Good agreement is obtained for the dielectric function in comparison to available optical data for dilute nitrides. To achieve this, the s p 3 d 5 s ∗ parameters for GaP and GaAs are optimized for their optical properties in comparison to published data, which are then used as the basis for the s p 3 d 5 s ∗ s N parameters for dilute-N GaPN and GaAsN. The calculated absorption between the valence band and the newly formed lowest conduction band of the dilute nitrides increases as the N fraction increases, in agreement with experiments, mainly due to the net increase in their coupling in the entire Brillouin zone, supported by the calculated momentum matrix element in the present work.
ISSN:0021-8979
1089-7550
DOI:10.1063/1.5140482