Bridging laboratory findings and artificial intelligence for the design of TlInTe2 crystals
Bridging laboratory findings and artificial intelligence for the design of TlInTe2 crystals
https://www.nature.com/articles/s41598-026-44965-9
Publish Date: 2026-05-21 06:07:00
Source Domain: www.nature.com
- The X-ray diffraction (XRD) pattern of TlInTe2 in powder form revealed its polycrystalline nature, matching a tetragonal structure with specific lattice parameters in accordance with prior research.
- Structural analysis included calculations of crystallite size, dislocation density, and microstrain in the TlInTe2 pellet.
- Optical properties of TlInTe2 single crystals were investigated over the wavelength range of 200–2500 nm, demonstrating transparency at longer wavelengths and absorption at shorter wavelengths.
- Analysis showed the material to have a direct energy band gap of 2.08 eV, determined from the dependence of (αhν)² on photon energy.
- Dielectric constant dependencies were studied, indicating that the real part decreases while the imaginary part increases with increasing incident photon energy.
- Raman spectroscopy was conducted to analyze TlInTe2’s structural and vibrational properties, identifying peaks corresponding to various vibrational modes of the Te-Tl-Te and In-Te bonds.
