ONE-CELL-STATE METHOD FOR DETERMINATION OF ELECTRONIC STRUCTURE OF INTERMETALLIC COMPOUNDS

来源期刊：中国有色金属学报(英文版)1998年第4期

论文作者：Gao Yingjun Chen Zhenhua Huang Peiyun Zhong Xiaping

文章页码：550 - 555

Key words：one-cell-state method　,intermetallic compound,　electronic structure　,charge transfer,　Al₃Li

Abstract: The basic-cell-state which can be used to describe the characteristic property of intermetallic compounds was constructed on the basis of new development in the basic-atom-state, and also a new method, one-cell-state-method, was established in terms of the basic-cell-state. To take Al₃Li as an example, how to use the new method to determine the electronic structure of the cell in intermetallic compounds is briefly introduced. The new method is valid for determination and analysis of the interatomicic charge transfer and the component of ionicity in chemical bond.