一种由电子能量损失谱计算过渡金属d电子数的优化方法

Optimization of the method to measure d electron occupancy in transition elements from electron energy loss spectrum

提出了一种由电子能量损失谱(EELS)计算过渡金属d电子数的“浮动窗口”方法,该方法是对现有方法的优化,它消除了现有方法中存在的严重的系统误差,能达到较高的精度.它的应用对于认识元素合金化后d电子数的变化以及电子结构与材料性能的关系具有重要意义.

A ＂floating window method＂ is proposed to optimize the existing methods of calculating d electron occupancy in alloys from electron energy loss spectrum （EELS） with high accuracy. This method is free of some systematic errors that are serious in previous approaches. The application of this method will throw new light on the understanding of the change of d electron occupancy in alloys and the relationship between the electronic structure and properties of materials.