First-principles calculations of the near-edge optical properties of β-Ga2O3

We use first-principles calculations based on many-body perturbationtheory to investigate the near-edge electronic andoptical properties of β-Ga2O3. The fundamentalband gap is indirect, but the minimum direct gap is only 29  meV higher inenergy, which explains the strong near-edgeabsorption. Our calculations verify the anisotropy of theabsorption onset and explain the range (4.4 –5.0 eV) of experimentally reportedband-gap values. Our results for the radiative recombination rate indicate that intrinsic light emission in the deep-ultra-violet (UV) range is possible in this indirect-gap semiconductor at high excitation. Our work demonstrates the applicability of β-Ga2O3 for deep-UV detection and emission.

Source: Applied Physics Letters - November 23, 2016 Category: Physics Authors: Kelsey A. Mengle, Guangsha Shi, Dylan Bayerl and Emmanouil Kioupakis Source Type: research