Hume-Rothery相的团簇式（英文）  

Cluster formulas of Hume-Rothery phases

作　　者：羌建兵[1] 柯星[1] 王英敏[1] 孙继忠[2] 刘天伟[3] 董闯[1] 

机构地区：[1]大连理工大学材料科学与工程学院,辽宁大连116024 [2]大连理工大学物理与光电工程学院,辽宁大连116024 [3]中国工程物理研究院,四川绵阳621900

出　　处：《大连理工大学学报》2015年第4期366-372,共7页Journal of Dalian University of Technology

基　　金：Fundamental Research Funds for the Central Universities(No.DUT13ZD102);Scientific and Technological Development Foundation of China Academy of Engineering Physics(No.2013A0301015);National Defense Basic Scientific Research(No.B1520133007);National Magnetic Confinement Fusion Science Program(No.2013GB107003)~~

摘　　要：Hume-Rothery相的电子浓度(e/a)一般为特定值1.50(=21/14)、1.62(=21/13)或1.75(=21/12),但相同电子浓度的相常基于布拉维格呈现不同晶体结构,因此,e/a并不能作为准确区分Hume-Rothery相结构类型的特征参数.为此需要一个更精细的结构参数对Hume-Rothery相进行更严谨的划分.运用团簇加连接原子模型分析常见的Hume-Rothery相,得到了各类Hume-Rothery相的团簇式和相关单位团簇电子数e/u,发现e/u能有效对具有相同e/a的Hume-Rothery相进行归类,是区分Hume-Rothery相结构类型的新参数.Hume-Rothery phases sharing the same e/a （electron concentration,which usually is 1.50（=21/14）,1.62（=21/13）,1.75 （=21/12））crystallize into many different types of structures based on a common Bravais lattice, hence the e/a alone can not be used as the finger print parameter specifying a Hume-Rothery phase.A refined electronic structure parameter is desirable for the classification of Hume-Rothery phases in a more rigorous manner.So the cluster-plus-glue-atom model is used to decipher the structures of Hume-Rothery phases, from which the cluster formula and relative number of electrons per unit formula,e/u, are derived. Hume-Rothery phases with an identical e/a are classified by e/u,so e/u is a new parameter to specify Hume-Rothery phase structures.

关 键 词：Hume-Rothery 相 电子浓度 团簇加连接原子模型 团簇式 

分 类 号：TB31[一般工业技术—材料科学与工程]