Ab-initio calculations of structural, optical and electronic properties of AgBiS2

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dc.contributor.authorBalcı, Gülten Kavak
dc.contributor.authorAyhan, Seyfettin
dc.date.accessioned2024-04-24T19:11:24Z
dc.date.available2024-04-24T19:11:24Z
dc.date.issued2018
dc.departmentDicle Üniversitesien_US
dc.description.abstractIn this work, we use first-principles calculations based on density-functional theorygeneralized gradient approximation (Perdew Burke Ernzerhof, PBE). Cubic and hexagonalAgBiS2 structures have been performed using the self-consistent full-potential linearizedaugmented plane wave (FPLAPW) method to investigate the structural, optical and electronicproperties. We have calculated the ground-state energy, the lattice constant, DOS, band gapand dielectric constant of cubic and hexagonal AgBiS2 by using Wien2k packet. The calculatedphysical properties of silver bismuth sulfide are compared with the experimental results andgood agreement was observed.en_US
dc.identifier.endpage8en_US
dc.identifier.issn2618-575X
dc.identifier.issue1en_US
dc.identifier.startpage1en_US
dc.identifier.trdizinid336492
dc.identifier.urihttps://search.trdizin.gov.tr/yayin/detay/336492
dc.identifier.urihttps://hdl.handle.net/11468/27976
dc.identifier.volume2en_US
dc.indekslendigikaynakTR-Dizin
dc.language.isoenen_US
dc.relation.ispartofInternational Advanced Researches and Engineering Journal
dc.relation.publicationcategoryMakale - Ulusal Hakemli Dergi - Kurum Öğretim Elemanıen_US
dc.rightsinfo:eu-repo/semantics/openAccessen_US
dc.titleAb-initio calculations of structural, optical and electronic properties of AgBiS2en_US
dc.titleAb-initio calculations of structural, optical and electronic properties of AgBiS2
dc.typeArticleen_US

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