Magnetism in Zigzag and Armchair CuO Nanoribbons: Ab Initio Analysis

The present work reports the magnetism analysis of zigzag and armchair forms of CuO nanoribbons by using density functional theory (DFT)-based 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 μ B and 0.24–0.97 μ B , respectively. The computed spin polarizations confirms the half or full metallic ferromagnetic nature of these nanoribbons.