Peculiar magnetic properties of NC6 and NC12 layered compounds from first principles
Abstract In the context of characterizing nitrogen-poor carbonitrides for different applications, identification of an unusual onset of spin polarization of N(p) states has been shown. A full saturation up to 3 μ B is demonstrated in extended two-dimensional carbon networks of NC6 and NC12 hexagonal...
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| Format: | Article |
| Language: | English |
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Oxford International Collaboration Centre Press (OICC press)
2018-08-01
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| Series: | Journal of Theoretical and Applied Physics |
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| Online Access: | http://link.springer.com/article/10.1007/s40094-018-0297-9 |
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| author | Samir F. Matar |
| author_facet | Samir F. Matar |
| author_sort | Samir F. Matar |
| collection | DOAJ |
| description | Abstract In the context of characterizing nitrogen-poor carbonitrides for different applications, identification of an unusual onset of spin polarization of N(p) states has been shown. A full saturation up to 3 μ B is demonstrated in extended two-dimensional carbon networks of NC6 and NC12 hexagonal structures refined based on density functional theory calculations. From establishing the energy–volume equations of states in both compounds assuming spin-degenerate (non-spin-polarized) and spin-polarized configurations, the ground state is identified as ferromagnetic. The variation of magnetization with volume points to strongly ferromagnetic behavior. |
| format | Article |
| id | doaj-art-a718271ee0b44694a4bdc65cdb9c86c8 |
| institution | OA Journals |
| issn | 2251-7227 2251-7235 |
| language | English |
| publishDate | 2018-08-01 |
| publisher | Oxford International Collaboration Centre Press (OICC press) |
| record_format | Article |
| series | Journal of Theoretical and Applied Physics |
| spelling | doaj-art-a718271ee0b44694a4bdc65cdb9c86c82025-08-20T02:00:45ZengOxford International Collaboration Centre Press (OICC press)Journal of Theoretical and Applied Physics2251-72272251-72352018-08-0112320921710.1007/s40094-018-0297-9Peculiar magnetic properties of NC6 and NC12 layered compounds from first principlesSamir F. Matar0Lebanese German University (LGU)Abstract In the context of characterizing nitrogen-poor carbonitrides for different applications, identification of an unusual onset of spin polarization of N(p) states has been shown. A full saturation up to 3 μ B is demonstrated in extended two-dimensional carbon networks of NC6 and NC12 hexagonal structures refined based on density functional theory calculations. From establishing the energy–volume equations of states in both compounds assuming spin-degenerate (non-spin-polarized) and spin-polarized configurations, the ground state is identified as ferromagnetic. The variation of magnetization with volume points to strongly ferromagnetic behavior.http://link.springer.com/article/10.1007/s40094-018-0297-9p-MagnetismDFTELF2D carbon structure |
| spellingShingle | Samir F. Matar Peculiar magnetic properties of NC6 and NC12 layered compounds from first principles Journal of Theoretical and Applied Physics p-Magnetism DFT ELF 2D carbon structure |
| title | Peculiar magnetic properties of NC6 and NC12 layered compounds from first principles |
| title_full | Peculiar magnetic properties of NC6 and NC12 layered compounds from first principles |
| title_fullStr | Peculiar magnetic properties of NC6 and NC12 layered compounds from first principles |
| title_full_unstemmed | Peculiar magnetic properties of NC6 and NC12 layered compounds from first principles |
| title_short | Peculiar magnetic properties of NC6 and NC12 layered compounds from first principles |
| title_sort | peculiar magnetic properties of nc6 and nc12 layered compounds from first principles |
| topic | p-Magnetism DFT ELF 2D carbon structure |
| url | http://link.springer.com/article/10.1007/s40094-018-0297-9 |
| work_keys_str_mv | AT samirfmatar peculiarmagneticpropertiesofnc6andnc12layeredcompoundsfromfirstprinciples |