| Dielectric properties of two dimensional ice |
| Paper ID : 1306-ICNS |
| Authors: |
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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) |