Band structures and optical properties related to substitutional impurities in TlGaSe2 layered crystals: first-principles study
- 20 February 2019
- journal article
- conference paper
- Published by Taylor & Francis in Phase Transitions
- Vol. 92 (5) , 451-460
Abstract
In this paper, an investigation of the electronic and optical properties of the TlGaSe2 pure layered crystal and TlGaSe2 doped with substitutional impurities in the framework of the density functional theory have been carried out. Based on the calculations of the band structure, energy dependencies for the optical characteristics such as the real and imaginary parts of the dielectric function, the refractive index, and the absorption coefficient were obtained for TlGa1–хInхSe2, TlGa(Se1–хSх)2 compounds. The effect of the impurities on the band gap and optical parameters have been analyzed.Keywords
Funding Information
- National Science Centre, Poland
This publication has 32 references indexed in Scilit:
- Trapping levels in TlGaSe2 single crystalsJournal of Alloys and Compounds, 2013
- Unusual Urbach tail in TlGaSe2 ferroelectric-semiconductor with incommensurate phaseJournal of Applied Physics, 2012
- Spectroscopic ellipsometry study of above-band gap optical constants of layered structured TlGaSe2, TlGaS2 and TlInS2 single crystalsPhysica B: Condensed Matter, 2012
- Linearized Augmented Plane Wave Band Structure Calculations and Dielectric Function of Layered TlGaSe2Japanese Journal of Applied Physics, 2008
- Anomalies in the electrophysical, thermal, and elastic properties of layered ferroelectric semiconductor TlGaSe2: Instability in the electronic subsystemPhysics of the Solid State, 2008
- Electronic properties and phase transitions in low-dimensional semiconductorsJournal of Physics: Condensed Matter, 2008
- Dielectric spectroscopy and nonequilibrium phase transitions in TlGaSe2layered crystalsSemiconductor Science and Technology, 2007
- Phase transitions and metastable states in TlGaSe2Phase Transitions, 2003
- Two-photon absorption in layered TlGaSe 2 , TlInS 2 , TlGaS 2 and GaSe crystalsSolid State Communications, 1999
- The structure of the paraelectric and incommensurate phases of TlGaSe2Journal of Physics: Condensed Matter, 1990