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