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Updated: Dec 12, 2025

Electrospray Deposition of Uniform Thickness Ge23Sb7S70 and As40S60 Chalcogenide Glass Films
Published on: August 19, 2016
High mechanical strength and broad optical absorption in underexplored group IV nitride chalcogenides
1Faculty of Applied Sciences, Universiti Teknologi MARA, Cawangan Sarawak, 94300 Samarahan, Sarawak, Malaysia. robincyh@uitm.edu.my.
Abstract:
While lab-scale synthesis of trigonal-Zr2N2S, hexagonal-Zr2N2S and hexagonal-Zr2N2Se has been reported, meaningful data on the photophysical properties of IV-nitride chalcogenides in general are scarcely available. The first-principles calculations and genetic algorithm modeling in our work reveal the existence of remarkably stable, indirect gap trigonal-Zr2N2Se and trigonal-Hf2N2Se phases, which progress to direct gap, monoclinic materials in monolayer form. These structures display the desired optoelectronic properties, such as exceptionally high visible-UV absorption spectra (105-106 cm-1) and exciton binding energy below 0.02 eV. Strong hybridization between the Zr-d, N-p and Se-p orbitals is accounted for by the polysilicon comparable Vickers hardness (10.64-12.77 GPa), while retaining ductile nature.
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