Dutta, Gargi ; Waghmare, Umesh V. (2008) Dielectric response in Ce-doped ThO2 Physica B: Condensed Matter, 403 (13-16). pp. 2197-2199. ISSN 0921-4526
Full text not available from this repository.
Official URL: http://www.sciencedirect.com/science/article/pii/S...
Related URL: http://dx.doi.org/10.1016/j.physb.2007.11.034
Abstract
We determine electronic and dielectric response of Ce doped and oxygen vacancy (O-vacancy) introduced thoria (ThO2), using first-principles density functional theory calculations based on pseudopotentials and a plane wave basis. We find significantly enhanced static dielectric response in ThO2 with Ce doping and introduction of oxygen vacancies. Softening and hardening of phonon modes and changes in the effective charges on atoms are found to be responsible for the dielectric response of doped samples compared to pure ThO2.
| Item Type: | Article |
|---|---|
| Source: | Copyright of this article belongs to Elsevier Science. |
| Keywords: | Oxide; Dielectric; Phonons |
| ID Code: | 59365 |
| Deposited On: | 06 Sep 2011 05:34 |
| Last Modified: | 06 Sep 2011 05:34 |
Repository Staff Only: item control page
