Volume dependence of the dielectric properties of amorphous SiO2

Oleksandr I Malyi; Mathias Boström; Vadym V Kulish; Priyadarshini Thiyam; Drew F Parsons; Clas Persson

doi:10.1039/c5cp06775h

Volume dependence of the dielectric properties of amorphous SiO2

Phys Chem Chem Phys. 2016 Mar 14;18(10):7483-9. doi: 10.1039/c5cp06775h.

Authors

Oleksandr I Malyi¹, Mathias Boström¹, Vadym V Kulish², Priyadarshini Thiyam³, Drew F Parsons⁴, Clas Persson⁵

Affiliations

¹ Centre for Materials Science and Nanotechnology, University of Oslo, P.O. Box 1048 Blindern, NO-0316 Oslo, Norway. oleksandr.malyi@smn.uio.no.
² Department of Mechanical Engineering, National University of Singapore, Block EA #07-08, 9 Engineering Drive 1, Singapore 117576, Singapore.
³ Department of Materials Science and Engineering, Royal Institute of Technology, SE-100 44 Stockholm, Sweden.
⁴ School of Engineering and Information Technology, Murdoch University, 90 South St, Murdoch, WA 6150, Australia.
⁵ Centre for Materials Science and Nanotechnology, University of Oslo, P.O. Box 1048 Blindern, NO-0316 Oslo, Norway. oleksandr.malyi@smn.uio.no and Department of Materials Science and Engineering, Royal Institute of Technology, SE-100 44 Stockholm, Sweden and Department of Physics, University of Oslo, P.O. Box 1048 Blindern, NO-0316 Oslo, Norway.

PMID: 26902661
DOI: 10.1039/c5cp06775h

Abstract

Using first principles calculations, the analysis of the dielectric properties of amorphous SiO2 (am-SiO2) was performed. We found that the am-SiO2 properties are volume dependent, and the dependence is mainly induced by the variation of nanoporosity at the atomic scale. In particular, both ionic and electronic contributions to the static dielectric constants are functions of volume with clear trends. Moreover, using the unique parameterization of the dielectric function provided in this work, we predict dielectric functions at imaginary frequencies of different SiO2 polymorphs having similar band gap energies.

Publication types

Research Support, Non-U.S. Gov't