Edge-Corrected Mean-Field Hubbard Model: Principle and Applications in 2D Materials

This work reviews the current progress of tight-binding methods and the recent edge-modified mean-field Hubbard model. Undercoordinated atoms (atoms not fully coordinated) exist at a high rate in nanomaterials with their impact overlooked. A quantum theory was proposed to calculate electronic struct...

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Detalhes bibliográficos
Main Authors: Xi Zhang, Tianlei Wang, Wencong Chen, Sanmei Wang, Da Peng
Formato: Artigo
Idioma:Inglês
Publicado em: Frontiers Media S.A. 2017-05-01
Colecção:Frontiers in Physics
Assuntos:
Hubbard model
tight-binding
2D material
nanoribbon
BOLS
edge effect
Acesso em linha:http://journal.frontiersin.org/article/10.3389/fphy.2017.00013/full
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