Enormous enhancement of p-orbital magnetism and band gap in the lightly doped carbyne.

  title={Enormous enhancement of p-orbital magnetism and band gap in the lightly doped carbyne.},
  author={C H Wong and Rolf Lortz and Anatoly F. Zatsepin},
  journal={Physical chemistry chemical physics : PCCP},
This paper presents a path to tailor adapted magnetic and electronic properties in carbyne. Although p-orbital magnetism is generally much weaker than d-orbital magnetism, we demonstrate that the charge fluctuation of the free radical electrons triggered by a time-varying electric dipole moment leads to enormous p-orbital magnetism. By introducing 25% arsenic and 12.5% fluorine into the monoatomic carbon chain, the magnetic moment of the arsenic atom reaches 2.9 μB, which is ∼1.3 times stronger… 

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