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Vacancy Induced Magnetism and Spin Filtering in 2D GaN Monolayer

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Title Vacancy Induced Magnetism and Spin Filtering in 2D GaN Monolayer
 
Creator Yadav, Sandeep
Agrawal, B K
Yadav, P S
 
Subject Ab-initio study
2D-GaN monolayer
Dispersion forces
Vacancies
Magnetism
Spin filter
Optical absorption
 
Description 795-802
Exotic properties functionalized by Ga or N atom vacancies in two-dimensional GaN monolayer have been predicted for
the first time. A detailed ab-initio study of the structural, electronic, magnetic and optical properties of a 2D–GaN
monolayer containing Ga or N atom vacancies has been performed. In the present study, we make two refinements in the
density functional theory. At first, long range dispersion interactions not discussed so far have been accounted for. Further,
norm-conserving pseudopotentials and plane waves are employed in generalized gradient approximation in contrast to
earlier workers who have used soft or ultra-soft pseudopotentials. One observes that the strength of induced magnetism
depends not on the separation of Ga-vacancies but on the number of Ga atom vacancies. The magnetism induced by N-atom
vacancies is either zero or quite small. Spin filtering has been observed in many configurations. A strong continuous
absorption from the far infrared region to the deep visible region is seen in some systems. It may be useful for development
of photo-emitting devices which will emit in various regions of energy spectrum including visible emission. The emission of
2D-GaN monolayer lying in deep ultraviolet region may be used for sterilization, water purification etc.
 
Date 2021-12-17T09:21:49Z
2021-12-17T09:21:49Z
2021-12
 
Type Article
 
Identifier 0975-0959 (Online); 0301-1208 (Print)
http://nopr.niscair.res.in/handle/123456789/58635
 
Language en
 
Publisher NIScPR-CSIR, India
 
Source IJPAP Vol.59(12) [December 2021]