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Non-magnetic Ge Functionalized Magnetism in 2D-GaN Monolaye

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Title Non-magnetic Ge Functionalized Magnetism in 2D-GaN Monolaye
 
Creator Yadav, Sandeep
Agrawal, B K
Yadav, P S
 
Subject Ab-initio study
2D-GaN monolayer
Adsorption
Magnetism
Optical absorption
 
Description 293-299
Exotic properties are predicted to be functionalized by the adsorption of non-magnetic Ge atom on the two-dimensional
GaN (2D–GaN) monolayer. They include the existence of spin filtering, high magnetism and continuous emission of
electromagnetic radiation. A comprehensive ab-initio study of structural, electronic, magnetic and optical properties of
2D–GaN monolayer possessing several Ge atoms as adsorbents has been performed. We employ the norm-conserving
pseudopotentials for atoms and plane waves in a generalised gradient approximation within density functional theory (DFT).
The semiconducting pure GaN monolayer is converted into a metallic one in far 2-Ge atoms adsorbed above Ga in 2D-GaN
monolayer systems. The behaviour of magnetism is found to be site-independent. The binding energies per adatom of the
Ge-atoms adsorbed above N are larger than those of the Ge-atoms adsorbed above Ga atoms. Along with the main strong
absorption lying in the ultraviolet region in all the Ge-adsorbed GaN monolayers, strong continuous absorption from the far
infrared region to the visible region has been seen in some systems. These systems may be useful for development of
light-emitting devices that will emit in various regions of the energy spectrum including visible region. The emission in the
deep ultraviolet region may also be used for sterilization, water purification, etc.
 
Date 2022-04-12T09:59:59Z
2022-04-12T09:59:59Z
2022-04
 
Type Article
 
Identifier 0975-0959 (Online); 0301-1208 (Print)
http://nopr.niscair.res.in/handle/123456789/59526
 
Language en
 
Publisher NIScPR-CSIR, India
 
Source IJPAP Vol.60(04) [April 2022]