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Enhancement of electronic and magnetic properties in Cr2O3 monolayer honeycomb-kagome by hydrogenation and oxygenation
Faculty
Science
Year:
2023
Type of Publication:
ZU Hosted
Pages:
Authors:
Mohamed Salah Mohammed Moayed
Staff Zu Site
Abstract In Staff Site
Journal:
The European Physical Journal Plus Springer
Volume:
Keywords :
Enhancement , electronic , magnetic properties , Cr2O3 monolayer
Abstract:
This study investigates the structural, electronic, and magnetic properties of pristine, hydrogenated, and oxygenated Cr2O3 monolayer honeycomb-kagome (HK) surface using first-principles calculations based on density functional theory (DFT). Molecular dynamics and phonon dispersion calculations demonstrate the thermal and dynamic stability of these systems, implying their feasibility for laboratory synthesis. The results revealed that the adsorption of hydrogen and oxygen atoms on the Cr2O3 monolayer surface exhibited negative adsorption energies, indicating that these structures are energetically favorable. Specifically, the adsorption of oxygen atoms transforms the initial half-metallic nature of the monolayer into semiconducting behavior. Moreover, the introduction of hydrogen and oxygen atoms considerably enhances the Curie temperature of the surface. These findings offer a practical approach for enhancing the electronic and magnetic properties of Cr2O3 monolayer HK surface, thereby facilitating their prospective application in spintronics.
Author Related Publications
Mohamed Salah Mohammed Moayed, "Stability, Adsorption, and Diffusion of CH4, CO2, and H2 in Clathrate Hydrates", American Physical Society, 2010
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Mohamed Salah Mohammed Moayed, "Hydrogenation-induced ferromagnetism on graphite surfaces", AMER PHYSICAL SOC, 2014
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Mohamed Salah Mohammed Moayed, "Theoretical study of the dynamics of atomic hydrogen adsorbed on graphene multilayers", AMER PHYSICAL SOC, 2015
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Mohamed Salah Mohammed Moayed, "Atomic-scale control of graphene magnetism by using hydrogen atoms", AMER ASSOC ADVANCEMENT SCIENCE, 2016
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Mohamed Salah Mohammed Moayed, "Hydrogen functionalization induced two-dimensional ferromagnetic semiconductor in Mn di-halide systems", Royal Society of Chemistry (United Kingdom), 2017
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Abdullah Fathi Aly Saad, "Ageing effects on polymeric track detectors: studies of etched tracks at nanosize scale using atomic force microscope", RADIATION PHYSICS, 2012
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Ahmed Elfalaky Elsaid Abdelrehim, "Bone-like Material, Synthesis, Optimization and Characterization", America, 2014
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