关键词: 过渡金属二硫化物, 纳米带, 非铁磁半导体, 铁磁半导体, 锯齿形, 扶手椅型

Abstract:

The electronic and magnetic properties of metal transition metal disulfides (mTMDC) had been studied by adjusting the size limits from 2D to 1D. Compared with the semiconductor TMDC obtained by experiments, the combination of mTMDC monolayer and nanoribbon was greater and the stability was better. Compared with its semiconductor TMDC, the 2D MX₂ (M = Nb, Ta; X = S, Se) single layer was a non-ferromagnetic metal. When the band width of mTMDC nanoribbons approaches 13 and 7, i.e., when the sawtooth and armchair edge terminals were formed respectively, the mTMDC transited from metal to semiconductor; when the bandwidth of mTMDC nanoribbons further decreases, these nanoribbons will be converted back to metal. Zigzag terminal acceptance tapes were Ferromagnetic Semiconductors whose magnetism could also be adjusted by hydrogen edge passivation, while armchair nanoribbons were non-ferromagnetic semiconductors. The results showed that mTMDC had a wide range of physical properties, ranging from metal to semiconductor, non-ferromagnetic to ferromagnetic, and was very suitable for applications requiring stable narrow bandgap semiconductors with different magnetic properties.

Key words: transition metal disulfide, nanoribbon, nonferromagnetic semiconductor, ferromagnetic semiconductor, zigzag, armchair