3D continuum phonon model for group-IV 2D materials

Handle URI:
http://hdl.handle.net/10754/625156
Title:
3D continuum phonon model for group-IV 2D materials
Authors:
Willatzen, Morten; Lew Yan Voon, Lok C; Gandi, Appala; Schwingenschlögl, Udo ( 0000-0003-4179-7231 )
Abstract:
A general three-dimensional continuum model of phonons in two-dimensional materials is developed. Our first-principles derivation includes full consideration of the lattice anisotropy and flexural modes perpendicular to the layers and can thus be applied to any two-dimensional material. In this paper, we use the model to not only compare the phonon spectra among the group-IV materials but also to study whether these phonons differ from those of a compound material such as molybdenum disulfide. The origin of quadratic modes is clarified. Mode coupling for both graphene and silicene is obtained, contrary to previous works. Our model allows us to predict the existence of confined optical phonon modes for the group-IV materials but not for molybdenum disulfide. A comparison of the long-wavelength modes to density-functional results is included.
KAUST Department:
Physical Sciences and Engineering (PSE) Division
Citation:
Willatzen M, Lew Yan Voon LC, Gandi AN, Schwingenschlögl U (2017) 3D continuum phonon model for group-IV 2D materials. Beilstein Journal of Nanotechnology 8: 1345–1356. Available: http://dx.doi.org/10.3762/bjnano.8.136.
Publisher:
Beilstein Institut
Journal:
Beilstein Journal of Nanotechnology
Issue Date:
30-Jun-2017
DOI:
10.3762/bjnano.8.136
Type:
Article
ISSN:
2190-4286
Sponsors:
MW acknowledges financial support from the Danish Council of Independent Research (Natural Sciences) grant no.: DFF - 4181-00182. The research reported in this publication was supported by funding from King Abdullah University of Science and Technology (KAUST).
Additional Links:
http://www.beilstein-journals.org/bjnano/articles/8/136
Appears in Collections:
Articles; Physical Sciences and Engineering (PSE) Division

Full metadata record

DC FieldValue Language
dc.contributor.authorWillatzen, Mortenen
dc.contributor.authorLew Yan Voon, Lok Cen
dc.contributor.authorGandi, Appalaen
dc.contributor.authorSchwingenschlögl, Udoen
dc.date.accessioned2017-07-06T09:43:04Z-
dc.date.available2017-07-06T09:43:04Z-
dc.date.issued2017-06-30en
dc.identifier.citationWillatzen M, Lew Yan Voon LC, Gandi AN, Schwingenschlögl U (2017) 3D continuum phonon model for group-IV 2D materials. Beilstein Journal of Nanotechnology 8: 1345–1356. Available: http://dx.doi.org/10.3762/bjnano.8.136.en
dc.identifier.issn2190-4286en
dc.identifier.doi10.3762/bjnano.8.136en
dc.identifier.urihttp://hdl.handle.net/10754/625156-
dc.description.abstractA general three-dimensional continuum model of phonons in two-dimensional materials is developed. Our first-principles derivation includes full consideration of the lattice anisotropy and flexural modes perpendicular to the layers and can thus be applied to any two-dimensional material. In this paper, we use the model to not only compare the phonon spectra among the group-IV materials but also to study whether these phonons differ from those of a compound material such as molybdenum disulfide. The origin of quadratic modes is clarified. Mode coupling for both graphene and silicene is obtained, contrary to previous works. Our model allows us to predict the existence of confined optical phonon modes for the group-IV materials but not for molybdenum disulfide. A comparison of the long-wavelength modes to density-functional results is included.en
dc.description.sponsorshipMW acknowledges financial support from the Danish Council of Independent Research (Natural Sciences) grant no.: DFF - 4181-00182. The research reported in this publication was supported by funding from King Abdullah University of Science and Technology (KAUST).en
dc.publisherBeilstein Instituten
dc.relation.urlhttp://www.beilstein-journals.org/bjnano/articles/8/136en
dc.rightsThis is an Open Access article under the terms of the Creative Commons Attribution License (http://creativecommons.org/licenses/by/4.0), which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited. The license is subject to the Beilstein Journal of Nanotechnology terms and conditions: (http://www.beilstein-journals.org/bjnano)en
dc.rights.urihttp://creativecommons.org/licenses/by/4.0en
dc.subjectgrapheneen
dc.subjectmolybdenum disulfideen
dc.subjectphononen
dc.subjectsiliceneen
dc.subjecttwo-dimensional materialsen
dc.title3D continuum phonon model for group-IV 2D materialsen
dc.typeArticleen
dc.contributor.departmentPhysical Sciences and Engineering (PSE) Divisionen
dc.identifier.journalBeilstein Journal of Nanotechnologyen
dc.eprint.versionPublisher's Version/PDFen
dc.contributor.institutionDepartment of Photonics Engineering, Technical University of Denmark, Kgs. Lyngby, 2800, Denmarken
dc.contributor.institutionCollege of Science and Mathematics, The University of West Georgia, 1601 Maple St, Carrollton, GA 30117. USAen
kaust.authorGandi, Appalaen
kaust.authorSchwingenschlögl, Udoen
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