posted on 2024-09-19, 12:04authored byS. S Cao, Q. Y. Yang, Juexian Cao, W. P. Xu
See the supplementary material for the convergence tests with the change of energy cutoff and k-mesh in (19, 0) SWCNT, the impacts of axial displacement (h) and rotation angle (θ) of the nanowires on the energy of the composite structures, the total energy with and without magnetic moment and bond lengths of the nanowires with different strains, the 2D linear-average electrostatic potentials of Cs4MX5 nanowires and (19, 0) SWCNT.