The algorithms are applied to a database of 34,313 optical absorption spectra, and selected results are compared to published theoretical and experimental band gap data from 16 materials sets. The best algorithm
since the metal-halogen framework of the initial structures remains consistent for all cations, yet the band gaps vary. On the other hand, the band gap is not determined by the type of cation according to the electronic structure, as the band edges are primarily contributed by...
Moreover, the nonconsequent band-gap value of each compound is estimated from the onset of the absorption. Vertical offsets are used for comparison of spectra (Choi & Lee, 2012). TM element Al also does not change the band gap. On the other hand, when TMs are used for the substitution...
Band gap measurements. UV Visible spectra of the Hf-MPO and Zr-MPO powders were collected from 200 to 1200 nm using a UV–Vis-NIR spectrophotometer (PerkinElmer Lambda 950). The band gap energy was estimated using Tauc relation20: [F(R∞) · hv]1/n = A · (hv − Eg )...
SbSIfundamental edgeenergy gapferroelectric semiconductorReflectance modulation spectra of the semiconducting ferroelectric compound SbSI, at wavelengths near the fundamental edge and at temperatures around the phase-transition are reported. Modulation was obtained by the periodical injection of free carriers ...
are based on the results of the test calculation. This approach avoids unnecessary time spent on challenging-to-converge spin-polarization and dipole correlation calculations. For electronic and optical property calculations, the spin-orbital coupling (SOC) is considered for an accurate band gap. ...
However, GaP has an indirect band gap which requires a relatively large absorption depth in comparison to the relatively low minority carrier diffusion length18 and poor surface kinetics13. Ternary III-V alloys have received a lot of attention due to their ability to exhibit tunable band gaps by...
1996. Reabsorption, bandgap narrowing and the reconciliation of photoluminescence spectra with electrical measurements for epitaxial n-InP. Journal of Applied Physics 80 (1): 448-458.Reabsorption, band‐gap narrowing, and the reconciliation of photoluminescence spectra with electrical measurements for ...
In the case of materials exhibiting strong broadening (originating from alloying effects, sub-band gap states, band tailing and impurity band formation), the determination of the position of the band gap energy from absorption spectra can be subjective and inaccurate [47]. Since all of these ...
Moreover, a small difference of nitrogen concentration between the real value and determined from experiments in GaInNAs layer leads to essential discrepancy in calculation of the GaInNAs band gap energy. Therefore, the simplest approach to calculate energy levels of the QW is fully justified. ...