Matches in SemOpenAlex for { <https://semopenalex.org/work/W3152210813> ?p ?o ?g. }
- W3152210813 endingPage "105837" @default.
- W3152210813 startingPage "105837" @default.
- W3152210813 abstract "A numerical full-potential linearized augmented plane method within density functional theory is performed to study the electronic structure include, energy band gap, total and partial density of states and chemical bonding as well as optical constants of Ba1−xSrxTiO3 (BST) (0≤ x ≤ 1) crystalizes in the paraelectric and ferroelectric phases. Results obtained using the improved [Koller-Tran-Blaha]-mBJ potential show excellent agreement with the experimental data. It is observed that the band gap in BST crystals increases with increasing Sr dopants due to the resonant interaction of O_2p orbitals mixed with co-doping Sr_4d states with the top of the valence band. BST exhibits a direct band gap at x range ~0.04–0.88 covering the wavelengths range ~397–436 nm within the visible spectrum region. The dielectric functions and optical constants such as refractive index, reflectivity and absorption coefficient are computed for radiation range 0–10 eV in comparison with measured data. The critical-point energies in various optical spectra are due to interband transitions from occupied O_2p states and little admixture of Sr_4p/d and Ba_4p orbitals localize in the top of the valence band to unoccupied Ti_3d, Sr_4p, and Ba_4d orbitals localize in the bottom of the conduction band. Excellent ultraviolet absorption (~4–8 eV) and visible regime transparency are achieved. BaSrTiO3 (BST) perovskite is a promising candidate for manufacturing low-cost high-efficiency solar cells and designing of novel sources of light operating in the visible spectrum region." @default.
- W3152210813 created "2021-04-13" @default.
- W3152210813 creator A5024698078 @default.
- W3152210813 creator A5050899719 @default.
- W3152210813 creator A5059787730 @default.
- W3152210813 creator A5079796087 @default.
- W3152210813 creator A5083422572 @default.
- W3152210813 creator A5089059520 @default.
- W3152210813 date "2021-08-01" @default.
- W3152210813 modified "2023-10-01" @default.
- W3152210813 title "Band gap and emission wavelength tuning of Sr-doped BaTiO3 (BST) perovskites for high-efficiency visible-light emitters and solar cells" @default.
- W3152210813 cites W1509824647 @default.
- W3152210813 cites W1513243317 @default.
- W3152210813 cites W1625309058 @default.
- W3152210813 cites W1630717534 @default.
- W3152210813 cites W1643713250 @default.
- W3152210813 cites W1820821688 @default.
- W3152210813 cites W1964470106 @default.
- W3152210813 cites W1971185577 @default.
- W3152210813 cites W1978652077 @default.
- W3152210813 cites W1981368803 @default.
- W3152210813 cites W1985755702 @default.
- W3152210813 cites W1989139454 @default.
- W3152210813 cites W1991765713 @default.
- W3152210813 cites W1998616924 @default.
- W3152210813 cites W2000417462 @default.
- W3152210813 cites W2003915454 @default.
- W3152210813 cites W2006769410 @default.
- W3152210813 cites W2016377733 @default.
- W3152210813 cites W2017805851 @default.
- W3152210813 cites W2021846906 @default.
- W3152210813 cites W2023552129 @default.
- W3152210813 cites W2027421971 @default.
- W3152210813 cites W2028418330 @default.
- W3152210813 cites W2030976617 @default.
- W3152210813 cites W2032956878 @default.
- W3152210813 cites W2036113194 @default.
- W3152210813 cites W2040842247 @default.
- W3152210813 cites W2042828254 @default.
- W3152210813 cites W2050877633 @default.
- W3152210813 cites W2073929646 @default.
- W3152210813 cites W2078604961 @default.
- W3152210813 cites W2078670026 @default.
- W3152210813 cites W2079372604 @default.
- W3152210813 cites W2079744479 @default.
- W3152210813 cites W2082756403 @default.
- W3152210813 cites W2086548661 @default.
- W3152210813 cites W2088144000 @default.
- W3152210813 cites W2094020784 @default.
- W3152210813 cites W2097131596 @default.
- W3152210813 cites W2128841933 @default.
- W3152210813 cites W2129902949 @default.
- W3152210813 cites W2152281466 @default.
- W3152210813 cites W2157575669 @default.
- W3152210813 cites W2212087296 @default.
- W3152210813 cites W2230728100 @default.
- W3152210813 cites W2271998683 @default.
- W3152210813 cites W2325742554 @default.
- W3152210813 cites W2329557646 @default.
- W3152210813 cites W2332444421 @default.
- W3152210813 cites W2334752021 @default.
- W3152210813 cites W2337281647 @default.
- W3152210813 cites W2514560866 @default.
- W3152210813 cites W2567785399 @default.
- W3152210813 cites W2580770261 @default.
- W3152210813 cites W2624537730 @default.
- W3152210813 cites W2753245423 @default.
- W3152210813 cites W2754673488 @default.
- W3152210813 cites W2791407313 @default.
- W3152210813 cites W2793039172 @default.
- W3152210813 cites W2810759440 @default.
- W3152210813 cites W2885713807 @default.
- W3152210813 cites W2896869738 @default.
- W3152210813 cites W2899429794 @default.
- W3152210813 cites W2903510529 @default.
- W3152210813 cites W2963125038 @default.
- W3152210813 cites W2990265858 @default.
- W3152210813 cites W2990853210 @default.
- W3152210813 cites W3008735797 @default.
- W3152210813 cites W3021287211 @default.
- W3152210813 cites W3030239822 @default.
- W3152210813 cites W3031346672 @default.
- W3152210813 cites W3033180705 @default.
- W3152210813 cites W3084180179 @default.
- W3152210813 cites W3104667166 @default.
- W3152210813 doi "https://doi.org/10.1016/j.mssp.2021.105837" @default.
- W3152210813 hasPublicationYear "2021" @default.
- W3152210813 type Work @default.
- W3152210813 sameAs 3152210813 @default.
- W3152210813 citedByCount "12" @default.
- W3152210813 countsByYear W31522108132022 @default.
- W3152210813 countsByYear W31522108132023 @default.
- W3152210813 crossrefType "journal-article" @default.
- W3152210813 hasAuthorship W3152210813A5024698078 @default.
- W3152210813 hasAuthorship W3152210813A5050899719 @default.
- W3152210813 hasAuthorship W3152210813A5059787730 @default.
- W3152210813 hasAuthorship W3152210813A5079796087 @default.
- W3152210813 hasAuthorship W3152210813A5083422572 @default.