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Wannier functions of cumulene: A tight-binding approach
(Wiley-Blackwell, 2016-03-01)
Exponentially localized Wannier functions of cumulene are calculated from the Bloch functions obtained through a tight-binding approach. Numerical results and discussions are given for the pi and sigma bands. In the latter ...
Thirteen-band tight-binding model for the MoS2 monolayer
(2021-01-01)
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 ...
Thirteen-band tight-binding model for the MoS2 monolayer
(2021-01-01)
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 ...
Electronic band structure of the Pt(1 1 1) surface: An ab initio and tight-binding study ? I
(Computational Materials Science, 2020)
Multi-orbital tight binding model for cavity-polariton lattices
(IOP Publishing, 2020-05)
In this work we present a tight-binding model that allows to describe with a minimal amount of parameters the band structure of exciton-polariton lattices. This model based on s and p non-orthogonal photonic orbitals ...
Spread of highly localized wave-packet in the tight-binding lattice: Entropic and information-theoretical characterization
(Academic Press Inc Elsevier Science, 2011)
Problema do grafeno com modificações: uma solução a partir de Tight BindingGraphene modified problem: a Tight Binding solution
(Universidade Federal de UberlândiaBrasilFísica de Materiais, 2019)