Dielectric properties of two dimensional ice
Paper ID : 1306-ICNS
Authors:
sabikeh ghasemi *1, Seyed Ahmad Ketabi2, Mehdi Neek Amal3
1Department of physics, Damghan university, Damghan, Iran.
2School of Physics, Damghan University, Damghan, Iran
3Department of Physics, Shahid Rajaee University, Tehran, Iran.
Abstract:
Water inside a nanocapillary exhibits unconventional structural and dynamical behaviour due to its ordered structure. A first principles study is used to investigate the dielectric properties of crystalline two dimensional ices and bulk ices. We calculate the dielectric properties of various crystalline two-dimensional ices and bulk ices by using density functional perturbation theory (DFPT). Both the ionic and electronic contributions of the dielectric constant are computed. The in-plane electronic dielectric constant was found to be larger than the out-of-plane electronic dielectric response for all the studied 2D-ices. In particular, the ionic part of the static response found to be anisotropic in the xy-plane for the buckled rhombic ice. However, the in-plane dielectric consonant of the electronic response is isotropic for all the studied ices. In order to compare our results obtained for 2D-ices with those for other crystalline bulk ices, we have calculated the dielectric constant of crystalline ices and bulk water.
Keywords:
Two dimensional ice-Dielectric properties- DFPT - Confined water
Status : Abstract Accepted (Poster Presentation)