ONE-CELL-STATE METHOD FOR DETERMINATION OF ELECTRONIC STRUCTURE OF INTERMETALLIC COMPOUNDS
(1.Institute ofNonequilibrium Materials,Central South University of Technology, Changsha 410083, P. R. China
2.Physical Department, Guangxi University, Nanning530004, P. R. China)
2.Physical Department, Guangxi University, Nanning530004, P. R. China)
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.
Key words: one-cell-state method intermetallic compound electronic structure charge transfer Al3Li