Magneto-electronic properties, carrier mobility and strain effects of InSe nanoribbon

The monolayer InSe has been successfully fabricated recently and studied intensely. Here, we investigate the geometrical stability and various physical properties such as electronic and magnetic feature, carrier mobility and strain effects for InSe nanoribbons. Our calculations show that armchair nanoribbons, regardless of the bare-edged or H-saturated ones, are semiconductors with an indirect bandgaps, but the bandgap size is increased greatly by H-saturation. Their electron mobility is predicted to be moderately large (from ~102 to ~103 cm2 V-1 s-1) with the holes being less mobile for wider ribbons, and the carrier polarity phenomenon becomes more prominently for H-saturation. The zigzag InSe nanoribbons are found to be magnetic metals with a bigger magnetic moment and the ferromagnetic ground state at the single edge. The magnetism stems from unpaired electrons at the In-rich edge. More interestingly, it is found that the externally applied mechanical strain can effectively tune the spin polarization efficiency at the Fermi level to two stepwise stages, suggesting that the strain can act as a tool for developing a mechanical switch to control spin-polarized transport under lower bias. The detailed analysis suggests that this strain-tuning mechanism can be attributed to the ionic and covalent bond-configuration competition due to the strain-induced bond-length alterations, which leads to the unpaired electron redistribution in magnetic atoms or vanishing.