Dresden 2014 – wissenschaftliches Programm

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DF: Fachverband Dielektrische Festkörper

DF 9: Poster Session DF

DF 9.8: Poster

Dienstag, 1. April 2014, 18:30–20:00, P1

Optical properties of Ti indiffused LiNbO3 from first principles — •Arthur Riefer, Simone Sanna, Arno Schindlmayr, and Wolf Gero Schmidt — Theoretische Physik, Universität Paderborn, Warburger Str. 100, 33100 Paderborn, Germany

Lithium niobate (LN) is one of the most important ferroelectric materials and the most important nonlinear optical material. Recently, the linear and nonlinear optical properties of highly ordered stoichiometric as well as of congruent LN have been investigated theoretically[1,2,3]. However, many applications, such as waveguides for signal processing or sensor systems, are based on Ti indiffused LiNbO3, whereby the Ti doping modifies in particular the refractive index[4]. In the present work, we investigate the electronic and optical properties of Ti indiffused LN from first-principles. Different concentrations of Ti are simulated by substitutions of Li or Nb atoms with Ti atoms. Based on this approach the electronic properties are calculated within DFT-GGA. The optical response is determined at the level of independent particles.

[1] W. G. Schmidt et al., Phys. Rev. B 77, 035106 (2008)

[2] Riefer et al., IEEE Trans. on Ultrasonics, Ferroelectrics and Frequency Control 59, 1929 (2012).

[3] Riefer et al., Phys. Rev. B 87, 195208 (2013)

[4] G. Singh et al., ”Ti indiffused Lithium Niobate ..”, in ”New Advanced Technologies” (2010), ISBN: 978-953-307-067-4