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Suppression of nonradiative recombination in ionic insulators by defects: Role of fast electron trapping in Tl-doped CsI

In semiconductors, defects often assist non-radiative relaxation. However, Tl doping can significantly suppress the non-radiative relaxation in alkali halides to increase scintillation efficiency. Without the Tl, it is known that the creation of Frenkel pairs at self-trapped excitons, assisted by excited electron and hole relaxations, is the reason for the non-radiative relaxation. Here we show by first-principles calculation that Tl doping introduces Tl p states inside the band gap to trap the excited electrons. The trapping is highly effective to within several ps, as revealed by time-dependent density functional theory calculations. It alters the non-radiative relaxation process to result in a noticeable increase in the relaxation barrier from 0.3 to 0.63 eV, which reduces the non-radiative relaxation by roughly a factor of 105 at room temperature.

Ab initio calculation↗

Reply to “Comment on ‘Comparative study of ab initio nonradiative recombination rate calculations under different formalisms’ ”

As pointed out by the comments of Wickramaratne et al., there was indeed an algebra error in our original publication [Phys. Rev. B 91, 205315 (2015)] in calculating the 1D model. We have corrected this error, and did a renewed calculation and comparison of the 1D model and other approximated models. The revised comparison provides some insights for the origin of the difference between the full phonon spectrum electron-phonon coupling static formula results and other approximated results, especially for how to evaluate the amplitude of electron-phonon coupling.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Constraining early dark energy with gravitational waves before recombination

In this work, we show that the nonperturbative decay of ultralight scalars into Abelian gauge bosons, recently proposed as a possible solution to the Hubble tension, produces a stochastic background of gravitational waves which is constrained by the cosmic microwave background. We simulate the full nonlinear dynamics of resonant dark photon production and the associated gravitational-wave production, finding the signals to exceed constraints for the entire parameter space we consider. Our findings suggest that gravitational-wave production from the decay of early dark energy may provide a unique probe of these models.

79 ASTRONOMY AND ASTROPHYSICS↗