Science & ResearchJul 30, 2026
An iterative method bridging DFT, disorder averaging, and experiment in intercalated materials: application to Au-intercalated graphene
Intercalation can strongly modify the electronic dispersion of a host material, as directly revealed by angle-resolved photoemission spectroscopy (ARPES).
Intercalation can strongly modify the electronic dispersion of a host material, as directly revealed by angle-resolved photoemission spectroscopy (ARPES). We develop a general iterative method combining density functional theory (DFT), tight-binding (TB), disorder averaging…
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