Electronic Properties of Zn₂V_(1-x)Nb_xN₃ Alloys to Model Novel Materials for Light-Emitting Diodes.

ABSTRACT: We propose the Zn₂V_(1-x)Nb_xN₃ alloy as a new promising material for optoelectronic applications, in particular for light-emitting diodes (LEDs). We perform accurate electronic-structure calculations of the alloy for several concentrations x using density-functional theory with meta-GGA exchange-correlation functional TB09. The band gap is found to vary between 2.2 and 2.9 eV with varying V/Nb concentration. This range is suitable for developing bright LEDs with tunable band gap as potential replacements for the more expensive Ga_(1-x)In_(x)N systems. Effects of configurational disorder are taken into account by explicitly considering all possible distributions of the metal ions within the met

SUBMITTER: Stratulat AM 

PROVIDER: S-EPMC10577778 | biostudies-literature | 2023 Oct

REPOSITORIES: biostudies-literature