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Matar, Samir F.. (1397). Peculiar magnetic properties of NC6 and NC12 layered compounds from first principles. , 12(3), 209-217. doi: 10.1007/s40094-018-0297-9
Samir F. Matar. "Peculiar magnetic properties of NC6 and NC12 layered compounds from first principles". , 12, 3, 1397, 209-217. doi: 10.1007/s40094-018-0297-9
Matar, Samir F.. (1397). 'Peculiar magnetic properties of NC6 and NC12 layered compounds from first principles', , 12(3), pp. 209-217. doi: 10.1007/s40094-018-0297-9
Matar, Samir F.. Peculiar magnetic properties of NC6 and NC12 layered compounds from first principles. , 1397; 12(3): 209-217. doi: 10.1007/s40094-018-0297-9

Peculiar magnetic properties of NC6 and NC12 layered compounds from first principles

Journal of Theoretical and Applied Physics
مقاله 7، دوره 12، شماره 3، آذر 2018، صفحه 209-217  XML اصل مقاله (2.96 M)
شناسه دیجیتال (DOI): 10.1007/s40094-018-0297-9
نویسنده
Samir F. Matar email
Lebanese German University (LGU)
چکیده
AbstractIn 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 μB 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.
کلیدواژه‌ها
Magnetism؛ DFT؛ ELF؛ 2D carbon structure
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