Publications by authors named "F J Culchac"

We present electronic structure calculations of twisted double bilayer graphene (TDBG): a tetralayer graphene structure composed of two AB-stacked graphene bilayers with a relative rotation angle between them. Using first-principles calculations, we find that TDBG is semiconducting with a band gap that depends on the twist angle, that can be tuned by an external electric field. The gap is consistent with TDBG symmetry and its magnitude is related to surface effects, driving electron transfer from outer to inner layers.

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The effects of edge magnetism on the Kohn anomaly (KA) of the G-band phonons of zigzag graphene nanoribbons (ZGNRs) are studied using a combination of the tight-binding and mean-field Hubbard models. We show that the opening of an energy gap, induced by magnetic ordering, significantly changes the KA effects, particularly for narrow ribbons in which the gap is larger than the phonon energy. Therefore, the G-band phonon frequency and lifetime are altered for a magnetically-ordered edge state with respect to an unpolarized edge state.

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Spin excitations in zigzag graphene nanoribbons are studied when the system is subjected to an electric field in the transversal direction. The magnetic properties and the lifetime of the spin excitations are systematically investigated and compared using a tight-binding electron-electron model treated by a mean-field Hubbard model. The effects of electron-hole asymmetry introduced by next-nearest neighbor hopping are also investigated.

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