The effect of hydrostatic pressure on optoelectronic and thermoelectric properties of materials: Band-gap engineering by DFT

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dc.contributor.authorAliabad, H.A. Rahnamaye
dc.contributor.authorBalci, Gulten Kavak
dc.date.accessioned2025-02-22T14:10:58Z
dc.date.available2025-02-22T14:10:58Z
dc.date.issued2024
dc.departmentDicle Üniversitesien_US
dc.description.abstractIn density functional theory DFT, the determination of accurate band gap of materials by band-gap engineering plays a key role in the prediction of optoelectronic and thermoelectric properties of materials. In a solid, the energy difference between the top of the valence band and the bottom of the conduction band is a band gap where no electron state can exist. Controlling the band gap allows us for the production of highperformance optoelectronic as well as thermoelectric devices. Metals have a zero band gap since there is an overlap between the valence and conduction bands. In a semiconductor, there is a band gap of around 1 eV while the band gap of insulators is much larger than in semiconductors.. © 2024 Nova Science Publishers, Inc. All rights reserved.en_US
dc.identifier.endpage98en_US
dc.identifier.isbn979-889113972-5
dc.identifier.isbn979-889113909-1
dc.identifier.scopus2-s2.0-85205587172en_US
dc.identifier.startpage91en_US
dc.identifier.urihttps://hdl.handle.net/11468/29933
dc.indekslendigikaynakScopusen_US
dc.language.isoenen_US
dc.publisherNova Science Publishers, Inc.en_US
dc.relation.ispartofMethods and Applications of Ab-Initio Calculationsen_US
dc.relation.publicationcategoryKitap Bölümü - Uluslararasıen_US
dc.rightsinfo:eu-repo/semantics/closedAccessen_US
dc.snmzKA_Scopus_20250222
dc.subjectBand gapen_US
dc.subjectDFTen_US
dc.subjectFP-LAPW methoden_US
dc.subjectGGAen_US
dc.titleThe effect of hydrostatic pressure on optoelectronic and thermoelectric properties of materials: Band-gap engineering by DFTen_US
dc.typeBook Parten_US

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