[PDF][PDF] A theoretical study of the physical properties of hexagonal gallium nitrate using density functional theory

AF Noori, AM Ghaleb, AI Salih - Adv. Phys. Res, 2024 - jomardpublishing.com
First-principles calculations based on density functional theory (DFT) have been used to
investigate structural, electronic, optical and thermodynamic aspects of the α-GaN crystal …

Determination of Band Structure and Compton profiles for Aluminum-Arsenide Using Density Functional Theory

SF Mohammed, SMA Ridha… - … Journal of Physics, 2023 - periodicals.karazin.ua
First-principles computations of the electrical characteristics of AlAs have been carried out
using the density functional theory-DFT and the Local Density Approximation-LDA, methods …

Density Functional Theory calculations for Graphene Oxide, Zinc Oxide and Graphene oxide/zinc oxide composite structure

AH Hattab, NO Tapabashi, NJ Khalil - 2023 - researchsquare.com
Graphene oxide is a complex substance that possesses significant implications in both
theoretical and practical domains. In order to examine the potential of graphene oxide (GO) …