离子晶体外表面束缚极化子

Exterior—Surface Bound Polarons of Ionic Crystal

本文计及表面光学声子的作用以及像电荷的作用,采用变分方法对一些材料外表面束缚极化子的基态能量和自陷能作了数值计算,并对结果进行了讨论,发现:对于Ⅰ—Ⅶ、Ⅱ—Ⅵ,Ⅲ—Ⅴ化合物的外表面,均可形成稳定的束缚极化子,且由于表面光学声子的作用,使这一杂质态更加稳定。

In this paper,the ground state energy and selftrapping energy of the exterior-surface bound polaron of some materials are calculated by the va- riational method with the effect of surface optical phonons and image char- ge taken into consideration.Further studies are made of the calculated re- sults.It is found that on the exterior surface of some of the Ⅰ-Ⅶ,Ⅱ-Ⅵ and Ⅲ-Ⅴ compounds stable bound polarons are formed and,owing to the action of surface optical phonons,the impurity state appears even more stable.