<strong>Vacancy Induced Magnetism and Spin Filtering in 2D GaN Monolayer</strong>
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Title Statement |
<strong>Vacancy Induced Magnetism and Spin Filtering in 2D GaN Monolayer</strong> |
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Added Entry - Uncontrolled Name |
Yadav, Sandeep ; Department of Physics
University of Allahabad
Allahabad-211002
India Agrawal, B K; Department of Physics University of Allahabad Allahabad-211002 India Yadav, P S; Department of Physics University of Allahabad Allahabad-211002 India The authors are thankful to Department of Science and Technology and University Grants Commission, New Delhi for their financial assistance. We also express our sincere thanks to IIIT, BHU, Varanasi for allowing to use Param Shivay supercomputer |
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Uncontrolled Index Term |
Ab-initio study, 2D-GaN monolayer, Dispersion forces, Vacancies, Magnetism, Spin filter, Optical absorption |
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Summary, etc. |
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. |
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Publication, Distribution, Etc. |
Indian Journal of Pure & Applied Physics (IJPAP) 2021-12-16 16:09:59 |
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Electronic Location and Access |
application/pdf http://op.niscair.res.in/index.php/IJPAP/article/view/55601 |
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Data Source Entry |
Indian Journal of Pure & Applied Physics (IJPAP); ##issue.vol## 59, ##issue.no## 12 (2021): Indian Journal of Pure & Applied Physics |
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Language Note |
en |
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Nonspecific Relationship Entry |
http://op.niscair.res.in/index.php/IJPAP/article/download/55601/465580518 http://op.niscair.res.in/index.php/IJPAP/article/download/55601/465580533 http://op.niscair.res.in/index.php/IJPAP/article/download/55601/465580534 |
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