Matches in SemOpenAlex for { <https://semopenalex.org/work/W2924469838> ?p ?o ?g. }
- W2924469838 endingPage "674" @default.
- W2924469838 startingPage "666" @default.
- W2924469838 abstract "For the Quaternary Chalcogenides BaCu2GeQ4 (Q = S, Se) optoelectronic, structural and transport properties are explored using accurate all electrons FP–LAPW [full potential linearized augmented plane wave] method. The lattice constants calculated theoretically are established to be in fine agreement with the values that are measured experimentally. It is established that all the titled compounds are direct band gap semiconductors and this energy band gap is situated Γ- Γ symmetry points. At the same time the band gap magnitude decreases during replacement of S by Se. Optical constant dispersion like imaginary and real components of dielectric functions, extinction coefficients, refractive indices, reflectivity's, absorption coefficients, have been also calculated for these compounds. High absorption and the direct band gap characteristics of these compounds in the UV–Visible energy range indicate that these perovskite structures might be used in optoelectronic and optical devices working in the UV–Visible range of the energy spectrum. The calculated birefringence (−0.012 and −0.083) enhances the suitability of BaCu2GeSe4 compared to BaCu2GeS4 usually applied as nonlinear optical materials. The computed transport coefficients exhibit the anisotropic nature of the materials, in agreement with their electronic states. The transport properties show stronger carrier concentrations along the Ge-s, Ba-p and Cu-d orbitals, confirming that these orbitals are principal for the electrical transport features. The values of effective mass of electrons are computed by curvature of the CBM band 124 and 184 for BaCu2GeS4 and BaCu2GeSe4 respectively. Investigating of the thermoelectric power factor shows that BaCu2GeS4 is much better than BaCu2GeSe4 over the entire temperature interval which make it suitable for future technological applications." @default.
- W2924469838 created "2019-04-01" @default.
- W2924469838 creator A5011852635 @default.
- W2924469838 creator A5023353285 @default.
- W2924469838 creator A5026212687 @default.
- W2924469838 creator A5035031160 @default.
- W2924469838 creator A5072133677 @default.
- W2924469838 creator A5072473408 @default.
- W2924469838 creator A5077908836 @default.
- W2924469838 creator A5078102681 @default.
- W2924469838 creator A5088139113 @default.
- W2924469838 date "2019-06-01" @default.
- W2924469838 modified "2023-10-02" @default.
- W2924469838 title "Effect of S and Se replacement on electronic and thermoelectric features of BaCu2GeQ4 (Q = S, Se) chalcogenide crystals" @default.
- W2924469838 cites W1568349674 @default.
- W2924469838 cites W1964045574 @default.
- W2924469838 cites W1969897416 @default.
- W2924469838 cites W1970492644 @default.
- W2924469838 cites W1971653619 @default.
- W2924469838 cites W1971939712 @default.
- W2924469838 cites W1979720339 @default.
- W2924469838 cites W1980872143 @default.
- W2924469838 cites W1981582146 @default.
- W2924469838 cites W1982851295 @default.
- W2924469838 cites W1989136585 @default.
- W2924469838 cites W1994715177 @default.
- W2924469838 cites W1998966200 @default.
- W2924469838 cites W2001139162 @default.
- W2924469838 cites W2003543767 @default.
- W2924469838 cites W2016836223 @default.
- W2924469838 cites W2017819653 @default.
- W2924469838 cites W2019199551 @default.
- W2924469838 cites W2021315998 @default.
- W2924469838 cites W2022318526 @default.
- W2924469838 cites W2027642693 @default.
- W2924469838 cites W2031393458 @default.
- W2924469838 cites W2039178798 @default.
- W2924469838 cites W2043284050 @default.
- W2924469838 cites W2048835561 @default.
- W2924469838 cites W2052443214 @default.
- W2924469838 cites W2059484979 @default.
- W2924469838 cites W2064280859 @default.
- W2924469838 cites W2065528844 @default.
- W2924469838 cites W2066350789 @default.
- W2924469838 cites W2078435208 @default.
- W2924469838 cites W2081870935 @default.
- W2924469838 cites W2085800491 @default.
- W2924469838 cites W2091645997 @default.
- W2924469838 cites W2094091655 @default.
- W2924469838 cites W2144470779 @default.
- W2924469838 cites W2148760108 @default.
- W2924469838 cites W2230728100 @default.
- W2924469838 cites W2319508646 @default.
- W2924469838 cites W2333631711 @default.
- W2924469838 cites W2562133228 @default.
- W2924469838 cites W2578084210 @default.
- W2924469838 cites W2605844286 @default.
- W2924469838 cites W2770182991 @default.
- W2924469838 cites W2949838271 @default.
- W2924469838 cites W2950421517 @default.
- W2924469838 cites W2951747005 @default.
- W2924469838 cites W2951915470 @default.
- W2924469838 cites W2953004378 @default.
- W2924469838 cites W2953295428 @default.
- W2924469838 doi "https://doi.org/10.1016/j.jallcom.2019.03.206" @default.
- W2924469838 hasPublicationYear "2019" @default.
- W2924469838 type Work @default.
- W2924469838 sameAs 2924469838 @default.
- W2924469838 citedByCount "16" @default.
- W2924469838 countsByYear W29244698382019 @default.
- W2924469838 countsByYear W29244698382020 @default.
- W2924469838 countsByYear W29244698382021 @default.
- W2924469838 countsByYear W29244698382022 @default.
- W2924469838 countsByYear W29244698382023 @default.
- W2924469838 crossrefType "journal-article" @default.
- W2924469838 hasAuthorship W2924469838A5011852635 @default.
- W2924469838 hasAuthorship W2924469838A5023353285 @default.
- W2924469838 hasAuthorship W2924469838A5026212687 @default.
- W2924469838 hasAuthorship W2924469838A5035031160 @default.
- W2924469838 hasAuthorship W2924469838A5072133677 @default.
- W2924469838 hasAuthorship W2924469838A5072473408 @default.
- W2924469838 hasAuthorship W2924469838A5077908836 @default.
- W2924469838 hasAuthorship W2924469838A5078102681 @default.
- W2924469838 hasAuthorship W2924469838A5088139113 @default.
- W2924469838 hasConcept C108225325 @default.
- W2924469838 hasConcept C112625512 @default.
- W2924469838 hasConcept C120665830 @default.
- W2924469838 hasConcept C121332964 @default.
- W2924469838 hasConcept C125469278 @default.
- W2924469838 hasConcept C132612359 @default.
- W2924469838 hasConcept C159985019 @default.
- W2924469838 hasConcept C179764930 @default.
- W2924469838 hasConcept C181966813 @default.
- W2924469838 hasConcept C185592680 @default.
- W2924469838 hasConcept C192562407 @default.
- W2924469838 hasConcept C193154288 @default.
- W2924469838 hasConcept C207114421 @default.
- W2924469838 hasConcept C26873012 @default.