Spin-orbit coupling in nearly metallic chiral carbon nanotubes:
Phys. Chem. Chem. Phys. 19, 8848-8853 (2017).
V. V. Maslyuk, R. Gutierrez, and G. Cuniberti.
https://doi.org/10.1039/c7cp00059f

Here, we present an accurate implementation of spin-orbit interactions in a density-functional theory framework including both core and valence orbital contributions, thus using the full potential of the system. We find that the spin-splitting of the frontier bands of armchair nanotubes is of the order of several mu eV and does not strongly depend on the diameter of the nanotube.

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Spin-orbit coupling in nearly metallic chiral carbon nanotubes:
Phys. Chem. Chem. Phys. 19, 8848-8853 (2017).
V. V. Maslyuk, R. Gutierrez, and G. Cuniberti.
https://doi.org/10.1039/c7cp00059f

Here, we present an accurate implementation of spin-orbit interactions in a density-functional theory framework including both core and valence orbital contributions, thus using the full potential of the system. We find that the spin-splitting of the frontier bands of armchair nanotubes is of the order of several mu eV and does not strongly depend on the diameter of the nanotube.

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Involved Scientists