Fig. 2: Calculated properties of zigzag CrS2, CrTe2 and VSe2 nanotubes.
From: Ferromagnetic semiconductor nanotubes with room Curie temperatures
a The results of strain energies Estrain. The Estrain of MoS2 nanotubes with diameter of ~3.9 nm in experiment is ~0.05 eV/atom97, of BN nanotubes with diameter of 0.45 nm is ~0.25 eV/atom61, of CNT with diameter of 1 nm is ~0.10 eV/atom57,58. These values are shown for reference. b The results of band gaps. c Results of Curie temperatures TC obtained by DFT calculation and Monte Carlo simulation. d The results of effective radial electrical field Er inward along the radius. The results of room temperature ferromagnetic semiconductors of zigzag CrS2 and CrTe2 nanotubes are emphasized by circles.
