Simulation of optical spectra of novel Tl4CdI6 and Tl4HgI6 optoelectronic crystals

• Autorzy: Franiv V , Bovgyra O , Kushnir O , Franiv A , Plucinski K J

Identyfikatory

DOI

10.5277/oa140212

• Języki publikacji: EN

Abstrakty

EN

The results of calculations using local density approximation and generalized gradient approximation: the total energy depending on the volume of the unit cell, the distribution of the total density of states and the partial contributions of electronic orbitals in the band structure of Tl4CdI6 and Tl4HgI6 crystals are shown in this paper. The spectra of the real part of the dielectric permittivity, the spectra of the imaginary part of permittivity, the reflection spectra and the absorption coefficient of both crystals are obtained using the Kramers–Kronig method. A comparative analysis of theoretical calculations with experimental data is carried out. Substantial influence of electron–phonon broadening is shown.

Słowa kluczowe

EN

density functional theory; band structure; density of states; optical properties

• Wydawca: Oficyna Wydawnicza Politechniki Wrocławskiej
• Czasopismo: Optica Applicata
• Rocznik: 2014
• Tom: Vol. 44, nr 2
• Strony: 317--326
• Opis fizyczny: Bibliogr. 22 poz., rys., wykr.

Twórcy

autor

Franiv V

• Ivan Franko National University of Lviv, Faculty of Electronics, 8, Kyrylo and Mefodii St., Lviv 79005, Ukraine

autor

Bovgyra O

• Ivan Franko National University of Lviv, Faculty of Physics, 8, Kyrylo and Mefodii St., Lviv 79005, Ukraine

autor

Kushnir O

• Ivan Franko National University of Lviv, Faculty of Electronics, 8, Kyrylo and Mefodii St., Lviv 79005, Ukraine

autor

Franiv A

• Ivan Franko National University of Lviv, Faculty of Physics, 8, Kyrylo and Mefodii St., Lviv 79005, Ukraine

autor

Plucinski K J

• Military University of Technology, Electronic Department, Kaliskiego 2, Warsaw, Poland

Bibliografia

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