Electronic and transport properties of structural defects in monolayer germanene: an ab initio investigation

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dc.creatorSousa, José Eduardo Padilha de
dc.creatorPontes, Renato Borges
dc.date.accessioned2024-07-11T12:56:54Z
dc.date.available2024-07-11T12:56:54Z
dc.date.issued2016
dc.description.abstractAb initio electronic structure and transport calculations of 2D hexagonal germanium with four possible structural defects were performed. The considered defects were Stone–Wales (SW), single vacancy (5–9) and two divacancies (5–8–5 and 555–777). We showed that these defects present a local reconstruction that can be clearly identified by STM images. Among the investigated defects, we verified that the SW defect has the lowest formation energy. We showed that in the presence of structural defects the 2D hexagonal germanium maintains its Dirac cone feature only for the single vacancy. The divacancies and the SW defect destroy the linear dispersion relation of the electrons, near the Fermi level, in this system. Moreover, we verified that these defects create scattering centers, which can lead to diminishing of the current by roughly 42% for the Stone–Wales and single vacancy, 55% for the divacancy 5–8–5 and 68% for the 555–777 divacancy.
dc.identifier.citationPADILHA, José Eduardo; PONTES, Renato Borges. Electronic and transport properties of structural defects in monolayer germanene: an ab initio investigation. Solid State Communications, Amsterdam, v. 225, p. 38-43, 2016. DOI: 10.1016/j.ssc.2015.10.019. Disponível em: https://www.sciencedirect.com/science/article/pii/S0038109815003750. Acesso em: 9 jul. 2024.
dc.identifier.doi10.1016/j.ssc.2015.10.019
dc.identifier.issn0038-1098
dc.identifier.issne- 1879-2766
dc.identifier.urihttps://www.sciencedirect.com/science/article/pii/S0038109815003750
dc.language.isoeng
dc.publisher.countryHolanda
dc.publisher.departmentInstituto de Física - IF (RMG)
dc.rightsAcesso Restrito
dc.subjectA. germanene
dc.subjectA. defects
dc.subjectD. electronic transport properties
dc.subjectE. first-principles calculations
dc.titleElectronic and transport properties of structural defects in monolayer germanene: an ab initio investigation
dc.typeArtigo

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