Density Functional Theory Investigations of the Optoelectronic Properties of Li2MnGeS4 and Li2CoSnS4

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dc.contributor.authorAzam, Sikander A.
dc.contributor.authorMahboob, Mamoona
dc.contributor.authorAli, Sobia
dc.contributor.authorRani, Malika
dc.contributor.authorIrfan, Muhammad
dc.contributor.authorWang, Xiaotian
dc.contributor.authorKhan, Saleem Ayaz
dc.contributor.authorKanoun, Mohammed Benali
dc.contributor.authorGoumri-Said, Souraya
dc.date.accessioned2020-06-22T10:00:16Z
dc.date.available2020-06-22T10:00:16Z
dc.date.issued2019
dc.description.abstract-translatedWe are attempting to study the properties of new materials based on Diamond-like semiconductors (DLS). Due to broad collection of useful properties, DLS are exciting materials to study. The novel substances Li2MnGeS4 and Li2CoSnS4 result from using a rational and guileless design approach that leads the discovery of DLSs with wide-ranging regions of optical transparency. So here, we have analyzed their applications in atomic devices and system called "optoelectronic" using the FP-APW method and mBJ method. The band gap value for Li2MnGeS4 is 2.911 eV and Li2CoSnS4 is 2.45 eV. The present DLS materials confirm their semiconductor characters. The presence of iron and manganese in these compounds have generated magnetic properties that we explored by the calculation of magnetic moment and spin-densities maps.en
dc.format11 s.cs
dc.format.mimetypeapplication/pdf
dc.identifier.citationAZAM, S. A., MAHBOOB, M., ALI, S., RANI, M., IRFAN, M., WANG, X., KHAN, S. A., KANOUN, M. B., GOUMRI-SAID, S. Density Functional Theory Investigations of the Optoelectronic Properties of Li2MnGeS4 and Li2CoSnS4. SPIN, 2019, roč. 9, č. 3. ISSN 2010-3247.en
dc.identifier.document-number494270300010
dc.identifier.doi10.1142/S2010324719500152
dc.identifier.issn2010-3247
dc.identifier.obd43929578
dc.identifier.uri2-s2.0-85070830994
dc.identifier.urihttp://hdl.handle.net/11025/37035
dc.language.isoenen
dc.publisherWorld Scientific Publishingen
dc.relation.ispartofseriesSPINen
dc.rightsPlný text není přístupný.cs
dc.rights© World Scientific Publishingen
dc.rights.accessclosedAccessen
dc.subject.translatedDiamond-like semiconductorsen
dc.subject.translatedoptoelectronic propertiesen
dc.subject.translatedDFTen
dc.subject.translatedFPLAPWen
dc.titleDensity Functional Theory Investigations of the Optoelectronic Properties of Li2MnGeS4 and Li2CoSnS4en
dc.typečlánekcs
dc.typearticleen
dc.type.statusPeer-revieweden
dc.type.versionpublishedVersionen

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