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ЖУРНАЛЫ // Физика твердого тела // Архив

Физика твердого тела, 2021, том 63, выпуск 2, страница 249 (Mi ftt10157)

Эта публикация цитируется 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

Язык публикации: английский


 Англоязычная версия: Physics of the Solid State, 2021, 63:2, 279–285


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