Transactions of Nonferrous Metals Society of China The Chinese Journal of Nonferrous Metals

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中國有色金屬學(xué)報(英文版)

Transactions of Nonferrous Metals Society of China

Vol. 8    No. 4    December 1998

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ONE-CELL-STATE METHOD FOR DETERMINATION OF ELECTRONIC STRUCTURE OF INTERMETALLIC COMPOUNDS
Gao Yingjun2, Chen Zhenhua 1, Huang Peiyun1 and Zhong Xiaping1

1.Institute ofNonequilibrium Materials,Central South University of Technology, Changsha 410083, 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

ISSN 1004-0609
CN 43-1238/TG
CODEN: ZYJXFK

ISSN 1003-6326
CN 43-1239/TG
CODEN: TNMCEW

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