An accurate and compact tight-binding model for GeS

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dc.contributor.authorPaez C.J.
dc.contributor.authorOspina R.
dc.contributor.authorBahamon D.A.
dc.date.accessioned2024-03-12T23:53:49Z
dc.date.available2024-03-12T23:53:49Z
dc.date.issued2019
dc.description.abstract© Published under licence by IOP Publishing Ltd.In this work we calculate the bands structure for the GeS monolayer from a multi-orbital tight-binding model, where the effect of s-p mixing are considered in slater-Koster equations. The model parameters are adjusting and optimising compared with the band structure obtained by density-functional theory calculation based on the hybrid HSE06 functional. It reproduces the conduction and valence bands as well as the orbital compositions. The anisotropic effective masses and Fermi velocities are identified directly from the anisotropy bands structure.
dc.description.issuenumber1
dc.description.volume1159
dc.identifier.doi10.1088/1742-6596/1159/1/012008
dc.identifier.issn1742-6596
dc.identifier.urihttps://dspace.mackenzie.br/handle/10899/35304
dc.relation.ispartofJournal of Physics: Conference Series
dc.rightsAcesso Aberto
dc.titleAn accurate and compact tight-binding model for GeS
dc.typeArtigo de evento
local.scopus.citations2
local.scopus.eid2-s2.0-85064401487
local.scopus.subjectAnisotropic effective mass
local.scopus.subjectFermi velocities
local.scopus.subjectModel parameters
local.scopus.subjectOrbital composition
local.scopus.subjectTight binding model
local.scopus.updated2024-05-01
local.scopus.urlhttps://www.scopus.com/inward/record.uri?partnerID=HzOxMe3b&scp=85064401487&origin=inward
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