2 papers
cond-mat.mtrl-sci2026
Comprehensive First-Principles Investigation of the Structural, Mechanical, Electronic, and Optical Properties of Homoelemental Phase T-GaN Monolayer
Djardiel S. Gomes, Isaac M. Félix, Jorge O. A. L. Torres +3
The exploration of non-hexagonal two-dimensional topologies has opened new possibilities for tailoring the properties of group III-V monolayers beyond those accessible through conv…
cond-mat.mtrl-sci2024
Predicting BN analogue of 8-16-4 graphyne: \textit{In silico} insights into its structural, electronic, optical, and thermal transport properties
Isaac M. Félix, Jessé M. Pontes, Djardiel S. Gomes +5
The boron nitride (BN) analogue of 8-16-4 graphyne, termed SBNyne, is proposed for the first time. Its physical properties were explored using first-principles calculations and cla…