Please use this identifier to cite or link to this item: https://hdl.handle.net/11147/11801
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dc.contributor.authorÜnsal, Elif-
dc.contributor.authorSenger, Ramazan Tuğrul-
dc.contributor.authorSevinçli, Haldun-
dc.date.accessioned2021-12-02T18:16:13Z-
dc.date.available2021-12-02T18:16:13Z-
dc.date.issued2021-
dc.identifier.issn2469-9950-
dc.identifier.issn2469-9969-
dc.identifier.urihttps://doi.org/10.1103/PhysRevB.103.014104-
dc.identifier.urihttps://hdl.handle.net/11147/11801-
dc.description.abstractIn this work, ab initio calculations based on density functional theory and the Landauer formalism are carried out to investigate ballistic thermoelectric properties of T-HfSe2 nanoribbons (NRs). The zigzag-edged NRs are metallic, and they are not included in this study. The armchair NRs possess two types of edge symmetries depending on the number of atoms present in a row; odd-numbered NRs have mirror symmetry, whereas the even-numbered NRs have glide reflection symmetry. The armchair-edged NRs are dynamically stable and show semiconducting properties with varying band gap values in the infrared and visible regions. Detailed transport analyses show that the n-type Seebeck coefficient and the power factor differ because of the structural symmetry, whereas the p-type thermoelectric coefficients are not significantly influenced. It is shown that the phonon thermal conductance is reduced to a third of its two-dimensional value via nanostructuring. The p-type Seebeck coefficient and the power factor for T-phase HfSe(2 )are enhanced in NRs. We report that the p-type ZT value of HfSe2 NRs at 300 and 800 K are enhanced by factors of 4 and 3, respectively.en_US
dc.description.sponsorshipThe authors offer many thanks to G. Ozbal Sargin for her fruitful discussions and suggestions throughout this study. Computational resources were provided by the Scientific and Technological Research Council of Turkey (TUB.ITAK). The authors acknowledge financial support from the TUBITAK through projects funded by Grants No. 117F131 and No. 117F480.en_US
dc.language.isoenen_US
dc.publisherAmerican Physical Societyen_US
dc.relation.ispartofPhysical Review Ben_US
dc.rightsinfo:eu-repo/semantics/openAccessen_US
dc.subjectNanoribbonsen_US
dc.subjectHafnium compoundsen_US
dc.subjectAb initio calculationsen_US
dc.titleEnhancement of Thermoelectric Efficiency of T-Hfse2 Via Nanostructuringen_US
dc.typeArticleen_US
dc.authorid0000-0003-0800-1924-
dc.authorid0000-0002-1896-2588-
dc.departmentİzmir Institute of Technology. Physicsen_US
dc.departmentİzmir Institute of Technology. Materials Science and Engineeringen_US
dc.identifier.volume103en_US
dc.identifier.issue1en_US
dc.identifier.wosWOS:000606721500001en_US
dc.identifier.scopus2-s2.0-85099249653en_US
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanıen_US
dc.identifier.doi10.1103/PhysRevB.103.014104-
dc.authorwosidSenger, R. Tugrul/B-8207-2009-
dc.identifier.wosqualityQ2-
dc.identifier.scopusqualityQ2-
item.fulltextWith Fulltext-
item.openairetypeArticle-
item.openairecristypehttp://purl.org/coar/resource_type/c_18cf-
item.languageiso639-1en-
item.cerifentitytypePublications-
item.grantfulltextopen-
crisitem.author.dept04.05. Department of Pyhsics-
crisitem.author.dept03.09. Department of Materials Science and Engineering-
Appears in Collections:Materials Science and Engineering / Malzeme Bilimi ve Mühendisliği
Physics / Fizik
Scopus İndeksli Yayınlar Koleksiyonu / Scopus Indexed Publications Collection
WoS İndeksli Yayınlar Koleksiyonu / WoS Indexed Publications Collection
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