First principles phonon calculations of dielectric properties in Ba2MWO6 (M = Mg, Zn)
详细信息 查看全文
- 作者：R. Vali vali@du.ac.ir" class="auth_mail" title="E-mail the corresponding author
- 关键词：Dielectric intensities ; Vibrational frequencies ; Double perovskite tungstates
- 刊名：Computational Materials Science
- 出版年：2016
- 出版时间：September 2016
- 年：2016
- 卷：122
- 期：Complete
- 页码：146-149
- 全文大小：335 K
文摘
- •
For the Ba2MWO6 (M = Mg, Zn), the zone center phonon modes have been calculated.
- •
The infrared mode contributions to the dielectric constants have been determined.
- •
The origin of the dielectric constants of Ba2MgWO6 and Ba2ZnWO6 has been discussed.