硫化锌晶粒生长基元稳定能及生长形态

以配位四面体为结构单元的锌化合物晶体有闪锌矿和纤锌矿两种结构．从负离子配位多面体生长基元模型出发，结合水热制备实验，通过生长基元稳定能计算，描绘了闪锌矿硫化锌晶粒形成的过程，给出了其理想生长形态．正四面体状生长基元是闪锌矿硫化锌晶体的有利生长基元，基元正、负极面具有不同的生长速率，因此，正四面体形是闪锌矿硫化锌晶体的理想生长形态．基元稳定能计算结果证明硫化锌晶体不可能以纤锌矿结构存在；氧化锌晶体也不可能以闪锌矿结构生长． 关键词：

STABILITY ENERGY OF GROWTH-UNIT AND MORPHOLOGY OF SPHALERITE CRYSTALLITES

The zinc-based compound crystals, which are composed of zinc-anion coordinate tetrahedrons have two kinds of structure:one is wurtzite and the other is sphalerite.In this article the formation process and the ideal morphology of the sphalerite crystals are studied by calculating the stability energy of the crystal growth unit on the basis of the model of anion coordination polyhedron.The favorable growth unit for the growth of the sphalerite crystal is the tetrahedron.Thus the ideal morphology of sphalerite crystals is tetrahedron.The growth rate of the positive polar plane is different from that of the negative polar plane.It is proved by the calculation that zincoxide crystals are impossible to exist in sphalerite,so are zincsulphide crystals in wurtzite.