金属中点缺陷的电子结构和缺陷谱

本文以胶体模型为基础,利用密度冷函理论和局域密度近似研究了过渡金属Cr,Fe,Ni和贵金属Cu中空位型缺陷、氢杂质、空位-杂质复合体的电子结构以及以正电子湮没寿命表征的缺陷谱。表明了用正电子湮没寿命谱研究金属点缺陷电子结构和缺陷尺度大小的可行性。 关键词：

ELECTRONIC STRUCTURE AND DEFECT SPECTROSCOPY OF POINT DEFECTS IN METALS

The electronic structures and positron annihilation lifetimes for vacancy-like defects, H-impurity and vacancy-H, vacancy-He complex in the transition metals Cr, Fe, Ni and the noble metal Cu have been calculated, using the density functional formalism and local density approximation based on the jellium model. It is shown that positron lifetime studies can produce fingerprint speetroscopy of defect of various sizes and structures in metals.