A First-Principles Study of TiX2 (X = S, Se, and Te) Compounds Optical Properties under the Effect of Externally Applied Electric Field and Strain

• Published in: Physics of the solid state Vol. 62; no. 10; pp. 1905 - 1915
• Main Author: Dey, Aditya
• Format: Journal Article
• Language: English
• Published: Moscow Pleiades Publishing 01.10.2020; Springer Nature B.V
• Subjects: Absorptivity; Density functional theory; Electric fields; First principles; Mathematical analysis; Optical Properties; Optoelectronics; Physics; Physics and Astronomy; Polarized light; Refractivity; Solid State Physics; Tellurium; Titanium compounds; Unit cell; optical properties; electric field; biaxial strain; density functional theory

Optical properties of titanium dichalcogenide compounds, TiX 2 (X = S, Se, and Te) have been calculated by first-principles calculations using density functional theory as implemented in SIESTA code. The unit cell of each of these compounds was optimized and the calculations were performed to obtain...