Effect of Si and Ge Surface Doping on the Be2C Monolayer: Case Study on Electrical and Optical Properties

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dc.contributor.authorNaseri, Mosayeb
dc.contributor.authorAl-Jaary, Ali H. Reshak
dc.contributor.authorBoochani, Arash
dc.contributor.authorRai, D. P.
dc.contributor.authorMatin, Laleh Farhang
dc.contributor.authorSolaymani, Shahram
dc.date.accessioned2022-03-14T11:00:26Z
dc.date.available2022-03-14T11:00:26Z
dc.date.issued2018
dc.description.abstract-translatedThe electronic and optical properties of X (Si, Ge) doped Be2C monolayer has been investigated using the all-electron full potential linear augmented plane wave (FP-LAPW+lo) method in a scalar relativistic version as embodied in the Wien2k code based on the density functional theory. Using cohesive energy calculation, it has been shown that the Si and Ge doped to Be2C monolayer have stable structures and the doping processes modified the direct band gaps. The calculated electronic band structure confirm the direct band gap nature since the conduction band minimum and the valence band maximum are located at the center of the Brillouin zone. The total and partial density of states help to gain further information regarding the hybridizations and the orbitals which control the energy band gap. The calculated optical properties help to gain deep insight into the electronic structure. Our calculated results indicate that the X (Si, Ge) doped Be2C monolayer can be have potential application in optoelectronics devices.en
dc.format10 s.cs
dc.format.mimetypeapplication/pdf
dc.identifier.citationNASERI, M. AL-JAARY, AHR. BOOCHANI, A. RAI, DP. MATIN, LF. SOLAYMANI, S. Effect of Si and Ge Surface Doping on the Be2C Monolayer: Case Study on Electrical and Optical Properties. Silicon, 2018, roč. 10, č. 5, s. 1893-1902. ISSN: 1876-990Xcs
dc.identifier.document-number442754000012
dc.identifier.doi10.1007/s12633-017-9698-7
dc.identifier.issn1876-990X
dc.identifier.obd43935122
dc.identifier.uri2-s2.0-85044952817
dc.identifier.urihttp://hdl.handle.net/11025/47162
dc.language.isoenen
dc.project.IDED2.1.00/03.0088/CENTEM - Centrum nových technologií a materiálůcs
dc.project.IDLO1402/CENTEM+cs
dc.publisherSpringeren
dc.relation.ispartofseriesSiliconen
dc.rightsPlný text je přístupný v rámci univerzity přihlášeným uživatelům.cs
dc.rights© Springeren
dc.rights.accessrestrictedAccessen
dc.subject.translatedBe2C monolayeren
dc.subject.translatedelectrical propertiesen
dc.subject.translatedoptical propertiesen
dc.subject.translatedDFT calculationsen
dc.titleEffect of Si and Ge Surface Doping on the Be2C Monolayer: Case Study on Electrical and Optical Propertiesen
dc.typečlánekcs
dc.typearticleen
dc.type.statusPeer-revieweden
dc.type.versionpublishedVersionen

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