您目前所在的位置:首页 - 期刊简介 - 详细页面

铁道科学与工程学报

JOURNAL OF RAILWAY SCIENCE AND ENGINEERING

Vol. 9    No. 4    December 1999

[PDF Download]    [Flash Online]

    

Electronic structure and physical property of TiAl
Gao Yingjun';Chen Zhenhua;Huang Peiyun and Zhong Xiaping

1.Physical DePartment, GUangxi University, Nanning 530004, P. R. China;
2.Institute of Nonequilibrium Materials Research,Central South University of Technology, Changsha 410083, P. R. China

Abstract:Using a new developed valence bond theory of intermetallic compound, the electronic structure and properties of TiAl were analysed systematically. It was determined that the valence electronic structure of Ti and Al atom in TiAl to be [ (4sf)0.42 (4sc) 1.36 (3dc)2.22]Ti and[ (3sf)0.39 (3sc)0.59 (3dc)2.02 ] Al respectively. According to these electronic structure, lattice constant, cohesive energy, potential curve, bulk modulus and temperature dependence of linear thermal expansion coefficient have been calculated, most of the theoretical values of these properties are in good agreement with experiment ones.

 

Key words: TiAl; electronic structure; physical properties

ISSN 1672-7029
CN 43-1423/U

主管:中华人民共和国教育部 主办:中南大学 中国铁道学会 承办:中南大学
湘ICP备09001153号 版权所有:《铁道科学与工程学报》编辑部
------------------------------------------------------------------------------------------
地 址:湖南省长沙市韶山南路22号 邮编:410075
电 话:0731-82655133,82656174   传真:0731-82655133   电子邮箱:jrse@mail.csu.edu.cn