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- W3195557210 abstract "We investigate the temperature effect on the electronic band structure and optical absorption property of wide-band-gap ternary nitride MgSiN$_2$ using first-principles calculations. We find that electron-phonon coupling leads to a sizable reduction in the indirect gap of MgSiN$_2$, which is indispensable in understanding the optoelectronic properties of this material. Taking the band gap renormalization into account, the band gap of MgSiN$_2$ determined by the quasiparticle GW0 calculations shows good agreement with recent experimental result. The predicted phonon-assisted indirect optical absorption spectra show that with increasing temperature the absorption onset undergoes a red-shift. Our work provides helpful insights to the nature of the band gap of MgSiN$_2$ and facilitates its application in ultraviolet optoelectronic devices." @default.
- W3195557210 created "2021-08-30" @default.
- W3195557210 creator A5060430631 @default.
- W3195557210 date "2021-12-10" @default.
- W3195557210 modified "2023-10-16" @default.
- W3195557210 title "Bandgap renormalization and indirect optical absorption in MgSiN2 at finite temperature" @default.
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- W3195557210 doi "https://doi.org/10.1063/5.0068833" @default.
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