摘要
应用GULP软件计算了PbWO4(PWO)晶体中分别掺杂Zn、Ca二价离子的相关缺陷生成能,并对计算结果进行了讨论.结果表明,Zn离子进入PWO晶体中只能占据铅空位附近的填隙位置,而Ca离子进入PWO晶体中可以占据铅空位,也可以占据铅空位附近的填隙位置,这两种情况出现几率近似;对于相同的掺杂浓度,在掺Zn的PWO晶体中的孤立铅空位数量比掺Ca的PWO晶体中少,从而掺Zn可以更好地抑制与铅空位有关的短波段吸收,增加晶体的光产额.
The positions of the impurity R^2＋ （R = Zn, Ca） ions in PWO crystal are simulated. The corresponding various kinds of defects in R^2 ＋ ： PbWO4 crystal are calculated, and the results are discussed. The calculation results show that Zn^2＋ ion could only exist in the interstitial form near a Pb vacancy in the crystal; the probability of occupying the Pb site and existing in the interstitial form near the Pb vacancy is almost the same for Ca^2＋. In the same doping concentration, doped Zn could restrict the 350 nm and 420 nm absorption better.
出处
《上海理工大学学报》
EI
CAS
北大核心
2006年第6期535-537,542,共4页
Journal of University of Shanghai For Science and Technology
