Thirteen-band Tight-binding Model for the MoS2 Monolayer
A tight-binding model is fitted to density-functional calculations of the electronic structure of the MoS2 monolayer. The model involves 13 atomic orbitals per unit cell: the 4d orbitals of the molybdenum atom plus the 3s and 3p orbitals of each sulfur atom. The hopping and overlap couplings of each...
| Main Authors: | , |
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| Format: | Article |
| Language: | English |
| Published: |
Associação Brasileira de Metalurgia e Materiais (ABM); Associação Brasileira de Cerâmica (ABC); Associação Brasileira de Polímeros (ABPol)
2021-11-01
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| Series: | Materials Research |
| Subjects: | |
| Online Access: | http://www.scielo.br/scielo.php?script=sci_arttext&pid=S1516-14392021000700222&tlng=en |