Abstract
Using the first-principles calculation based on the density-functional theory, we study the magnetic properties, carrier mobility and physical field coupling effects on armchair-edged phosphorene nanoribbons terminated with Mn and F atoms (APNR-Mn-F2). The results show that such a structure is an excellent bipolar spin semiconductors with a very high Curie temperature, near room temperature. There exists a significant difference in electron and hole mobility. The hole mobility is up to 106 cm2/V⋅s, which is much higher than that of the original phosphorene. In particular, the electronic properties of the ribbon can be effectively adjusted by applying strain and electric field. The applied electric field can lead to a reversible modulation on magnetic moment and electronic phase transition among magnetic semiconducting, half-metallic and magnetic metallic states. This tunable electronic property expands the applications of nanoribbons in nanoelectronics and optoelectronics.
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