Matches in SemOpenAlex for { <https://semopenalex.org/work/W3202103691> ?p ?o ?g. }
Showing items 1 to 92 of
92
with 100 items per page.
- W3202103691 endingPage "e00601" @default.
- W3202103691 startingPage "e00601" @default.
- W3202103691 abstract "The body centered tetragonal chalcopyrites ZnAP 2 (A = Si, Ge, Sn) were explored by employing the full potential linearized augmented plane wave method towards the study of their unique electronic, optical and bonding properties. Our calculations show that the ZnSiP 2 , ZnGeP 2 , ZnSnP 2 compounds are direct bandgap semiconductors. The spectral properties, such as total density of states and partial density of states are discussed in detail. The charge density and chemical bonding results predict the polar covalent nature of the Zn–P and A-P bonds. ZnGeP 2 is predicted to have polar covalent nature less than the other. The variations of dielectric function, absorption coefficient, refractive index and optical conductivity indicate the influence of the Si, Ge and Sn. Possessing the direct band gap, high absorption capacity, low refractive index and high dielectric constant in the visible energy range imply that these chalcopyrites are suitable for optoelectronic applications. • The calculations were performed by employing the FP-LAPW using mBJ potential. • The energy formation for all these compounds was calculated for the first time. • The optical properties and electron charge density was predicted to understand the bonding properties which reveal the intriguing features with respect to their optical characteristics. • The results and predictions of the proposed work will pave way to the applications in optoelectronic applications." @default.
- W3202103691 created "2021-10-11" @default.
- W3202103691 creator A5013550914 @default.
- W3202103691 creator A5030748177 @default.
- W3202103691 creator A5032372979 @default.
- W3202103691 creator A5076373854 @default.
- W3202103691 date "2021-12-01" @default.
- W3202103691 modified "2023-10-18" @default.
- W3202103691 title "Insights on optical and charge density properties of semiconducting chalcopyrites ZnAP2 (A = Si, Ge, Sn) using modified Becke-Johnson potential – A first principles study" @default.
- W3202103691 cites W1056795720 @default.
- W3202103691 cites W164985067 @default.
- W3202103691 cites W1850872159 @default.
- W3202103691 cites W1923070965 @default.
- W3202103691 cites W1980952952 @default.
- W3202103691 cites W2010566163 @default.
- W3202103691 cites W2023348327 @default.
- W3202103691 cites W2045215527 @default.
- W3202103691 cites W2054139519 @default.
- W3202103691 cites W2061469359 @default.
- W3202103691 cites W2072295114 @default.
- W3202103691 cites W2075181440 @default.
- W3202103691 cites W2078734907 @default.
- W3202103691 cites W2081674924 @default.
- W3202103691 cites W2088106293 @default.
- W3202103691 cites W2281573047 @default.
- W3202103691 cites W2472722624 @default.
- W3202103691 cites W2534704390 @default.
- W3202103691 cites W2552043096 @default.
- W3202103691 cites W2601377822 @default.
- W3202103691 cites W2610746551 @default.
- W3202103691 cites W2757271837 @default.
- W3202103691 cites W2761815156 @default.
- W3202103691 cites W2792205674 @default.
- W3202103691 cites W2802661141 @default.
- W3202103691 cites W2894142732 @default.
- W3202103691 cites W2947006287 @default.
- W3202103691 cites W2949249635 @default.
- W3202103691 cites W3098153439 @default.
- W3202103691 cites W3130869194 @default.
- W3202103691 cites W787901476 @default.
- W3202103691 doi "https://doi.org/10.1016/j.cocom.2021.e00601" @default.
- W3202103691 hasPublicationYear "2021" @default.
- W3202103691 type Work @default.
- W3202103691 sameAs 3202103691 @default.
- W3202103691 citedByCount "3" @default.
- W3202103691 countsByYear W32021036912022 @default.
- W3202103691 countsByYear W32021036912023 @default.
- W3202103691 crossrefType "journal-article" @default.
- W3202103691 hasAuthorship W3202103691A5013550914 @default.
- W3202103691 hasAuthorship W3202103691A5030748177 @default.
- W3202103691 hasAuthorship W3202103691A5032372979 @default.
- W3202103691 hasAuthorship W3202103691A5076373854 @default.
- W3202103691 hasConcept C108225325 @default.
- W3202103691 hasConcept C121332964 @default.
- W3202103691 hasConcept C147597530 @default.
- W3202103691 hasConcept C152365726 @default.
- W3202103691 hasConcept C185592680 @default.
- W3202103691 hasConcept C188082385 @default.
- W3202103691 hasConcept C192562407 @default.
- W3202103691 hasConcept C26873012 @default.
- W3202103691 hasConcept C49040817 @default.
- W3202103691 hasConcept C62520636 @default.
- W3202103691 hasConceptScore W3202103691C108225325 @default.
- W3202103691 hasConceptScore W3202103691C121332964 @default.
- W3202103691 hasConceptScore W3202103691C147597530 @default.
- W3202103691 hasConceptScore W3202103691C152365726 @default.
- W3202103691 hasConceptScore W3202103691C185592680 @default.
- W3202103691 hasConceptScore W3202103691C188082385 @default.
- W3202103691 hasConceptScore W3202103691C192562407 @default.
- W3202103691 hasConceptScore W3202103691C26873012 @default.
- W3202103691 hasConceptScore W3202103691C49040817 @default.
- W3202103691 hasConceptScore W3202103691C62520636 @default.
- W3202103691 hasLocation W32021036911 @default.
- W3202103691 hasOpenAccess W3202103691 @default.
- W3202103691 hasPrimaryLocation W32021036911 @default.
- W3202103691 hasRelatedWork W2058676402 @default.
- W3202103691 hasRelatedWork W2070785029 @default.
- W3202103691 hasRelatedWork W2329285141 @default.
- W3202103691 hasRelatedWork W2803648643 @default.
- W3202103691 hasRelatedWork W2902546961 @default.
- W3202103691 hasRelatedWork W2904095625 @default.
- W3202103691 hasRelatedWork W3105417689 @default.
- W3202103691 hasRelatedWork W3106012388 @default.
- W3202103691 hasRelatedWork W3202154541 @default.
- W3202103691 hasRelatedWork W4313653414 @default.
- W3202103691 hasVolume "29" @default.
- W3202103691 isParatext "false" @default.
- W3202103691 isRetracted "false" @default.
- W3202103691 magId "3202103691" @default.
- W3202103691 workType "article" @default.