Physical Properties of Magnesium Nitridophosphate (Mg2PN3) Compound

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dc.contributor.authorAyhan, Seyfettin
dc.contributor.authorBalci, Gulten Kavak
dc.date.accessioned2024-04-24T16:24:12Z
dc.date.available2024-04-24T16:24:12Z
dc.date.issued2018
dc.departmentDicle Üniversitesien_US
dc.description34th International Physics Congress (IPS) of the Turkish-Physical-Society (TPS) -- SEP 05-09, 2018 -- Konacik, TURKEYen_US
dc.description.abstractIn this work, we investigated structural, electronic and optical properties of orthorhombic Mg2PN3 compound. The calculations were performed with full-potential linearized augmented plane-wave (FP-LAPW) method based on Density Functional Theory by using Wien2k packet. PBE-GGA (Perdew, Burke and Ernzerhof) were selected as exchangecorrelation functional. We calculated cell dimensions, bulk modulus and cohesive energy of this compound. The calculated structural parameters have good agreement with experimental works. We calculated DOS curve, electronic band structure, dielectric function, absorption coefficient and optical conductivity parameters. The DOS and electronic band calculations show that Mg2PN3 has indirect band gap with 5.2 eV value.en_US
dc.description.sponsorshipTurkish Phys Socen_US
dc.description.sponsorshipDicle University Scientific Research project coordination unit [FEN.15.016]en_US
dc.description.sponsorshipThis research was supported by the Dicle University Scientific Research project coordination unit (project no: FEN.15.016). Thanks to Prof. Peter Blaha and Prof. Karlheinz Schwarz for supplied free Wien2k code to us.en_US
dc.identifier.doi10.1063/1.5078909
dc.identifier.isbn978-0-7354-1768-7
dc.identifier.issn0094-243X
dc.identifier.scopus2-s2.0-85067051636
dc.identifier.scopusqualityQ4
dc.identifier.urihttps://doi.org/10.1063/1.5078909
dc.identifier.urihttps://hdl.handle.net/11468/16582
dc.identifier.volume2042en_US
dc.identifier.wosWOS:000468358900037
dc.identifier.wosqualityN/A
dc.indekslendigikaynakWeb of Science
dc.indekslendigikaynakScopus
dc.language.isoenen_US
dc.publisherAmer Inst Physicsen_US
dc.relation.ispartofTurkish Physical Society 34th International Physics Congress (Tps34)
dc.relation.publicationcategoryKonferans Öğesi - Uluslararası - Kurum Öğretim Elemanıen_US
dc.rightsinfo:eu-repo/semantics/closedAccessen_US
dc.subjectNitridophosphateen_US
dc.subjectMg2pn3en_US
dc.subjectElectronic Propertiesen_US
dc.subjectOptical Propertiesen_US
dc.subjectAb-Initio Calculationsen_US
dc.subjectFp-Lapwen_US
dc.titlePhysical Properties of Magnesium Nitridophosphate (Mg2PN3) Compounden_US
dc.titlePhysical Properties of Magnesium Nitridophosphate (Mg2PN3) Compound
dc.typeConference Objecten_US

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