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Two-dimensional Weyl points and nodal lines in pentagonal materials and their optical response

dc.contributor.authorBravo S
dc.contributor.authorPacheco M
dc.contributor.authorNuñez V
dc.contributor.authorCorrea J.D
dc.contributor.authorChico L.
dc.date.accessioned2022-09-14T14:34:18Z
dc.date.available2022-09-14T14:34:18Z
dc.date.created2021
dc.identifier.issn20403364
dc.identifier.urihttp://hdl.handle.net/11407/7611
dc.descriptionTwo-dimensional pentagonal structures based on the Cairo tiling are the basis of a family of layered materials with appealing physical properties. In this work we present a theoretical study of the symmetry-based electronic and optical properties of these pentagonal materials. We provide a complete classification of the space groups that support pentagonal structures for binary and ternary systems. By means of first-principles calculations, the electronic band structures and the local spin textures in momentum space are analyzed for four examples of these materials, namely, PdSeTe, PdSeS, InP5 and GeBi2, all of which are dynamically stable. Our results show that pentagonal structures can be realized in chiral and achiral lattices with Weyl nodes pinned at high-symmetry points and nodal lines along the Brillouin zone boundary; these degeneracies are protected by the combined action of crystalline and time-reversal symmetries. Additionally, we computed the linear and nonlinear optical features of the proposed pentagonal materials and discuss some particular features such as the shift current, which shows an enhancement due to the presence of nodal lines and points, and their possible applications. © The Royal Society of Chemistry.eng
dc.language.isoeng
dc.publisherRoyal Society of Chemistry
dc.relation.isversionofhttps://www.scopus.com/inward/record.uri?eid=2-s2.0-85103634527&doi=10.1039%2fd1nr00064k&partnerID=40&md5=fd0f6f8d30e5c07b57bf3b7622dac9dd
dc.sourceNanoscale
dc.titleTwo-dimensional Weyl points and nodal lines in pentagonal materials and their optical response
dc.typeArticle
dc.rights.accessrightsinfo:eu-repo/semantics/restrictedAccess
dc.publisher.programCiencias Básicas
dc.type.spaArtículo
dc.identifier.doi10.1039/d1nr00064k
dc.subject.keywordBismuth compoundseng
dc.subject.keywordCalculationseng
dc.subject.keywordGermanium compoundseng
dc.subject.keywordIndium compoundseng
dc.subject.keywordNanocrystalline materialseng
dc.subject.keywordOptical propertieseng
dc.subject.keywordPalladium compoundseng
dc.subject.keywordPhosphorus compoundseng
dc.subject.keywordSelenium compoundseng
dc.subject.keywordSpin fluctuationseng
dc.subject.keywordTellurium compoundseng
dc.subject.keywordTextureseng
dc.subject.keywordBrillouin zone boundaryeng
dc.subject.keywordComplete classificationeng
dc.subject.keywordElectronic and optical propertieseng
dc.subject.keywordElectronic band structureeng
dc.subject.keywordFirst-principles calculationeng
dc.subject.keywordHigh-symmetry pointseng
dc.subject.keywordNon-linear opticaleng
dc.subject.keywordTime reversal symmetrieseng
dc.subject.keywordSulfur compoundseng
dc.relation.citationvolume13
dc.relation.citationissue12
dc.relation.citationstartpage6117
dc.relation.citationendpage6128
dc.publisher.facultyFacultad de Ciencias Básicas
dc.affiliationBravo, S., Departamento de Física, Universidad Técnica Federico Santa María, Valparaíso, Chile
dc.affiliationPacheco, M., Departamento de Física, Universidad Técnica Federico Santa María, Valparaíso, Chile
dc.affiliationNuñez, V., Departamento de Física, Universidad Técnica Federico Santa María, Valparaíso, Chile
dc.affiliationCorrea, J.D., Facultad de Ciencias Básicas, Universidad de Medellín, Medellín, Colombia
dc.affiliationChico, L., Departamento de Física de Materiales, Facultad de Ciencias Físicas, Universidad Complutense de Madrid, Madrid, 28040, Spain
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dc.identifier.reponamereponame:Repositorio Institucional Universidad de Medellín
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