Spin splitting and electric field modulated electron-hole pockets in antimonene nanoribbons

Abstract

The one-dimensional nanoribbons have great potential applications in novel multifunctional electronic devices. Herewith, we investigate the electronic structure of antimonene nanoribbons using the first-principles calculations. Four ribbon models are considered. All of them are semiconductors with appropriate band gaps. Because of the loss of inversion symmetry, spin-orbit splitting appears in the asymmetric washboard nanoribbons. Significantly, spin splittings of 62 and 44 meV are found at the valence band maximum and conduction band minimum for zigzag asymmetric washboard nanoribbon (aW-zSbNR). Further applying an inplane electric field introduces a potential difference between the two zigzag edges. The energies for the localized edge states are modified. Eventually spin-orbit-coupling induced band inversion and electron-hole pockets with appropriately the same size could be triggered in a W-zSbNR, which is interesting for exploiting the magnetoresistance effect.npj Quantum Materials (2017) 2:15 ;

Two-dimensional pnictogens: A review of recent progresses and future research directions

“…This kind of transition was also observed under the tensile strain for arsenene nanoribbons. 266 Song et al 269 predicted that zigzag nanoribbons of hb-and aw-Sb have magnetic moments at the edge atoms in the range of À0.10 to 0.08 ml B . Similar results were predicted for the zigzag arsenene nanoribbons (0.07 l B ) 270 Akt€ urk et al performed the optimization calculations using the 2 Â 1 unit cell of hb-Sb nanoribbons in order to see the reconstruction of the edge atoms, where ferromagnetic features were detected.…”

Effects of vertical electric field and charged impurities on the spin-polarized transport ofβ-antimonene armchair nanoribbons

“…In the case of antimonene armchair nanoribbons (ASb-NRs) present an indirect band gap while zigzag terminated nanoribbons have a direct band gap as shown by DFT calculations of their electronic properties [29]. Theoretical works on monolayer Sb nanoribbons of different terminations have shown the importance of external electric fields in the control of their electronic properties [30]. In nanoribbons with loss of inversion symmetry, the strong SOC of Sb induces significant spin splittings in valence band maximum and conduction band minimum and the applied electric field together with the strong SOC allows the control of the band-gap size and, in the zigzag terminated ribbons, eventually induces a band inversion thereby electric-field modulation of carrier compensation is achieved with direct consequences for the magnetoresistance effect [30].…”

The influence of dopants on aW-phase antimonene: theoretical investigations

“…32 Considering the localization of 3d TM-dopants, GGA+U is adopted to describe the strong on-site Coulomb interaction. Moreover, the spin-oribit couplings (SOC) act important role in the band structures 33,34 and is also included to calculated the band structures in our study. The convergence criterion between two consecutive steps was set as 10 À6 eV and a maximum force of 0.001 eVÅ À1 was allowed on each atom.…”