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Физика твердого тела, 2021, том 63, выпуск 2, страница 249
(Mi ftt10157)
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Эта публикация цитируется в 1 научной статье (всего в 1 статье)
Магнетизм
Magnetism in zigzag and armchair CuO nanoribbons: ab-initio analysis
T. P. Yadavabc, A. Srivastavab, G. C. Kaphlec a Central Department of Physics, Tribhuvan University,
Kirtipur, Kathamandu, Nepal
b Advance Materials Research Group, CNT Lab, Atal Bihari Vajpayee —
Indian Institute of Information Technology and Management,
Gwalior, India
c Central Campus of Science and Technology, Mid-Western University,
Surkhet, Nepal
Аннотация:
The present work reports the magnetism analysis of zigzag and armchair forms of CuO nanoribbons by using density functional theory (DFT) based on ab-initio approach. The structural stability has been confirmed through the binding energy calculation. The electronic and magnetic properties have been analyzed as a function of varied width of CuO nanoribbons, interesting information for variety of applications. The metallic and ferromagnetic behaviors of CuO nanoribbons are observed, whereas its bulk counterpart shows a $p$-type semiconducting and antiferromagnetic nature. The computed magnetic moments for the zigzag and armchair forms of CuO nanoribbon are in the ranges of 0.19–0.61 $\mu$B and 0.24–0.97 $\mu$B, respectively. The computed spin polarizations confirms the half or full metallic ferromagnetic nature of these nanoribbons.
Ключевые слова:
CuO, nanoribbon, DFT + U, magnetic moment, ferromagnetism, spin polarization, band structure.
Поступила в редакцию: 10.10.2020 Исправленный вариант: 10.10.2020 Принята в печать: 16.10.2020
Образец цитирования:
T. P. Yadav, A. Srivastava, G. C. Kaphle, “Magnetism in zigzag and armchair CuO nanoribbons: ab-initio analysis”, Физика твердого тела, 63:2 (2021), 249; Phys. Solid State, 63:2 (2021), 279–285
Образцы ссылок на эту страницу:
https://www.mathnet.ru/rus/ftt10157 https://www.mathnet.ru/rus/ftt/v63/i2/p249
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