Color center of YAlO₃ with cation vacancies

详细信息    查看全文

• 作者：Jianyu Chen ; Guangjun Zhao ; Dunhua Cao ; Shengming Zhou
• 关键词：YAlO₃ crystal ; Color center ; Cation vacancy ; Additional absorption
• 刊名：Current Applied Physics
• 出版年：2010
• 出版时间：March 2010
• 年：2010
• 卷：10
• 期：2
• 页码：468-470
• 全文大小：563 K

文摘

High quality pure YAlO₃ crystal with dimension of Φ 30 × 50 mm² was grown by Czochralski technique. UV irradiation and air annealing bring additional absorption in the region 200–800 nm. The absorption spectra of perfect YAlO₃ and YAlO₃ containing cation vacancy (aluminium vacancy and yttrium vacancy) were calculated using density functional theory code CASTEP. Comparison of the simulated absorption spectra with the experimental absorption spectra of YAlO₃ after UV irradiation and air annealing treatments shows that cation vacancies are responsible for part of the coloration on YAlO₃ crystal.