Electronic structure and optical properties of Cu3PX4(X=S and Se): Solar cell made of abundant materials

Structural, Electronic, Magnetic and Optical properties of Sm doped ZnS: A First Principle Study

“…Self-consistent electronic structure computations have been used to determine the absorptive (imaginary) component of 𝜀(𝜔) (Wang, 1992). The formula for 𝜀 2 (ω) is as follows (AmineSlassi, 2015):…”

Ab-initio calculations of structural, electronic, and optical properties of Zn 3 (VO 4 ) 2

“…The imaginary part of the dielectric function represents the absorption of photons, and consequently the electronic transition from the valence band to conduction band. The equation for calculation of ε 2 (ω) is [28]…”

“…The real part of the dielectric function ε 1 (ω) describes the dispersion of photons in the material. ε 1 (ω) can be calculated from ε 2 (ω) by using the Kramers-Kronig relation [28] ε…”

“…[27] The static dielectric function ε 1 (0) is an important parameter which is calculated at the zero frequency limit. It has a strong relationship with the bandgap energy as described by the Penn model [28] ε…”

“…The absorption coefficient α(ω) can be calculated directly with dielectric function ε(ω) by using the following relation: [28] α The threshold energy of absorption for Zn 3 (VO 4 ) 2 is calculated by using all mentioned approximations, which lies in the range 2.3-2.9 eV in x and z crystal orientations, respectively (Fig. 5(c)).…”