Polarization induced self-doping effects and p-n junctions in heterostructures based on F-GaN-H stacking

Wang, Fangping; Li, Enling; Cui, Zhen; Shen, Pengfei; Zhao, Hongyuan; Shen, Yang; Ma, Deming

doi:10.1016/j.physe.2022.115498

Cited by 3 publications

(1 citation statement)

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“…To improve the stability, surface passivation has been developed as an effective means in the presence of naturally unsaturated dangling bonds on the surface. Surface passivation leads to more negative formation energy of monolayer GaN [9,10], making it theoretically easier to experimentally obtain. And it can also improve the stability of some bilayer 2D GaN structures [11,12].…”

Section: Introductionmentioning

confidence: 99%

Thermal conductivity at finite temperature and electronic structure of the ultra-wide band gap fluorinated 2D GaN

Sun,

Xiang,

et al. 2023

J. Phys.: Condens. Matter

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Passivation makes 2D hexagonal structure more stable than the planarvariant. Surface fluorinated monolayer of GaN have been found to have ultra-wideband gap and have promising applications in optoelectronic conversion devices. In thiswork, using theoretical method, we have explored the thermal conductivity as well as the electronic structure offluorinated GaN. It has a low thermal conductivity of 7.67 W/(mK) due to the lowgroup velocity and short phonon lifetime. The calculated direct band gap value is 4.63eV, which could be modulated by strain and biaxial strain is found to more effective.Attractively, direct band gap can be maintained under tensile strain. Breakdown ofsymmetry by uniaxial strain lifts the band degeneracy of the VBM, which will lead topolarized light emission. The in-depth analysis shows that Ga-F as well as N-F bondsare strongly ionic, which is responsible for its low thermal conductivity and ultra-wideband gap.

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Section: Introductionmentioning

confidence: 99%