Ab Initio Calculations and Experimental Study of the Electronic Properties of CdGa2Se4 Single Crystals by Spectral Ellipsometry


Mamedova I., Cahangirli Z., ƏLİZADƏ E., Kerimova T., Mammadov T., Abdullayev N.

Physics of Wave Phenomena, vol.30, no.5, pp.306-313, 2022 (SCI-Expanded) identifier

  • Nəşrin Növü: Article / Article
  • Cild: 30 Say: 5
  • Nəşr tarixi: 2022
  • Doi nömrəsi: 10.3103/s1541308x22050077
  • jurnalın adı: Physics of Wave Phenomena
  • Jurnalın baxıldığı indekslər: Science Citation Index Expanded (SCI-EXPANDED), Scopus, INSPEC
  • Səhifə sayı: pp.306-313
  • Açar sözlər: absorption coefficient, dielectric function, ellipsometric angles, energy band structure, extinction coefficient, refractive index, spectral ellipsometry
  • Adres: Bəli

Qısa məlumat

Abstract: The electronic properties of CdGa2Sе4 single crystals have been investigated experimentally using spectral ellipsometry and theoretically (ab initio) within the density functional theory (DFT). Based on the ellipsometric measurements in the energy range of 0.7–6.5 eV, the imaginary and real parts of the dielectric function for incident light polarized along and perpendicular to the crystal optical axis, as well as the dispersion of the refractive indices and extinction and absorption coefficients, were determined. The energy band structure, origin of energy states, optical functions, and the partial densities of states (PDOS) projected on atoms were determined from ab initio calculations. The theoretically calculated results are compared with the spectral ellipsometry data.