Abstract
Abstract One-dimensional nanotubes have become an indispensable ideal candidate material for nano-device applications due to their excellent and unique electronic, mechanical, and thermal properties. By the first-principles method of density functional theory, we have theoretically investigated the structural stability, electronic properties, carrier mobility, and Poisson's ratio of C3N single-walled nanotubes (C3NSWNT). We find that C3NSWNT is stable and the ground state of the system is non-magnetic. The electronic properties and carrier mobilities of C3NSWNT can be adjusted by diameter and edge engineering. The electron mobility of (n,n) armchair C3NSWNT (A-C3NSWNT) is lower than that of (n,0) zigzag C3NSWNT (Z-C3NSWNT), but the hole mobility of (n,n) A-C3NSWNT is higher than that of (n,0) Z-C3NSWNT. Moreover, both A-C3NSWNT and Z-C3NSWNT can transfer from semiconductor to metal by tuning the electric field, and Z-C3NSWNT is more sensitive to the applied electric field than A-C3NSWNT due to smaller energy gap. But only A-C3NSWNT can transfer from semiconductor to metal by tuning strain, and be more suitable to the application in nano electromechanical switching devices. These research results may provide some theoretical support for the potential application and development of nanoelectronic devices based on C3NSWNT.
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