Temperature-tuned band gap energy and oscillator parameters of GaS0.5Se0.5 single crystals

Isik, M.; Tuğay, Evrin; Gasanly, Nizami

doi:10.1016/j.ijleo.2016.06.041

Cited by 3 publications

(1 citation statement)

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“…However, to be closer to reality, the temperature dependence of the formation energies should also enter via changes in the band gap, which reduces as temperature rises. For bulk GaS and GaSe it has been reported that the band gap decreases by about 0.45 meV/K and 0.51 meV/K, respectively [95,96]. Assuming a rate of the same magnitude for the monolayers means that at 1000 K the experimental band gap would be reduced to E g = 3.15 eV for monolayer GaS and to E g = 2.99 eV for monolayer GaSe.…”

Section: B Formation Energies At Realistic Growth Conditionsmentioning

confidence: 99%

Native defects in monolayer GaS and GaSe: electrical properties and thermodynamic stability

Barragan-Yani¹,

Polfus²,

Wirtz³

2021

Preprint

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Structural, electronic and thermodynamic properties of native defects in GaS and GaSe monolayers are investigated by means of accurate ab-initio calculations. Based on their charge transition levels we assess the influence of the studied defects on the electrical properties of the monolayers. Specifically, we show that native defects do not behave as shallow dopants and their presence cannot account for the experimentally observed intrinsic doping. In addition, we predict that native defects are efficient compensation and recombination centers. Besides pointing out their detrimental nature, we also calculate the corresponding finite temperature formation energies and provide a window of growth conditions able to reduce the concentration of all relevant native defects.

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Section: B Formation Energies At Realistic Growth Conditionsmentioning

confidence: 99%