Magnetic properties of silicene nanoribbons: A DFT study
نویسندگان
چکیده
منابع مشابه
Thermoelectric Properties of Doped Zigzag Silicene Nanoribbons
Thermoelectric properties of silicene nanoribbons doped with magnetic impurity atoms are investigated theoretically for both antiparallel and parallel orientations of the edge magnetic moments. Spin density distribution and transport parameters have been determined by ab-initio numerical methods based on the density functional theory. Doping with magnetic atoms considerably modi es the spin den...
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متن کاملThe Nitrogen atom effect on structural and magnetic properties of Fullerene C20:A DFT study
The fullerene structures of C20cage and bowl,C20H10 and their N-doped structures as C20cage NH,C20bowl NH, C20H10NH, C20H10N and their isomers are optimized using the MPW1PW91/6-31G level of the theory. Magnetic shielding tensors of 14N and 13C atoms are calculated by the same level of the theory. Results show that doping an N atom on fullerenes affects differently on the chemical shielding of ...
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ژورنال
عنوان ژورنال: AIP Advances
سال: 2017
ISSN: 2158-3226
DOI: 10.1063/1.4985139