Size effect on the magnetic and electronic properties of the monolayer lateral hetero-junction WS2-MoS2 nanoribbon

Abstract By using the VASP, we studied the magnetic and electronic properties of the monolayer lateral hetero-junction WS 2 -MoS 2 -nanoribbons (WS 2 -MoS 2 -NRs). Our results show that the NRs’ edge chirality and width affect significantly its magnetic and electronic properties. The monolayer lateral hetero-junction ZZ-WS 2 -MoS 2 -NRs(ZZ: zigzag) exhibitmetallic behavior and have considerable magnetic moment. Their magnetic moments decrease in the order of N z  = 2, 6 and 4 (the width of NRs). While, the magnetic moment decreases with the increased r z (the number of the Mo-S chains, r z ≠ 0 and r z ≠  N z ) at the same width N z . The N A -AC-WS 2 -NR (AC: armchair) and N A -AC-WS 2 -MoS 2 -NR-1 (the number of the Mo-S chain is 1) show metallic behavior when N A  = 3 (the width of NRs). The other monolayer lateral hetero-junction AC-WS 2 -MoS 2 -NRs remain the nonmagnetic and semiconductingbehavior as bulk. But they are indirect band-gap except for the N A  = 3, r A  = 2 (the number of the Mo-S chains) and N A  = 7, r A  = 0 when N A N A  ≥ 9. Their lowest and highest band gaps are 0.150 eV and 0.581 eV, respectively. These unique magnetic and electronic properties will provide guidanceon the WS 2 -MoS 2 hetero-junction application in nanodevice.