Abstract
This paper provides an atomistic exploration of amorphous composite ${{\rm HfO}_2} {\text{-}} {{\rm SiO}_2}$ oxides to explain the experimentally observed anomalous behavior of the refractive index with increasing Si content. We use an approach to obtain amorphous states of high-temperature oxides by melting–quenching the initial ${{\rm HfO}_2}$ crystal containing various amounts of Si impurities. The calculations are carried out by quantum molecular dynamics. The coordination numbers of Hf, Si, and O atoms are studied at various doping levels. The change in the atomic structure of ${{\rm a{\text{-}}HfO}_2}$ depending on the doping level qualitatively explains the anomalous behavior of the refractive index.
© 2023 Optica Publishing Group
Full Article | PDF ArticleMore Like This
Vivek Semwal and Banshi D. Gupta
J. Opt. Soc. Am. B 37(12) 3841-3849 (2020)
Lingyun Xie, Huasong Liu, Jun Zhao, Hongfei Jiao, Jinlong Zhang, Zhanshan Wang, and Xinbin Cheng
Appl. Opt. 59(5) A128-A134 (2020)
Karl Kreuzer, Philipp Henning, Michael Vergöhl, Stefan Bruns, Thomas Melzig, Christian Patzig, and René Feder
Appl. Opt. 63(6) 1641-1647 (2024)