金属价的确定方法  

Determining Methods of Valence of Metal

作　　者：李小波[1,2] 张平[1] 

机构地区：[1]湘潭大学土木工程与力学学院,湘潭411105 [2]湘潭大学材料设计及制备技术湖南省重点实验室,湘潭411105

出　　处：《材料导报》2010年第3期102-107,共6页Materials Reports

基　　金：第四十五批博士后科学基金资助(20090451101);湘潭大学博士后科学基金资助

摘　　要：按照"键中取价"的思路,综述了金属中各种键价理论的本质和方法。Pauling金属价键理论从综合性能来定价,建立了共价电子与键长的关系式;Engel-Brewer金属价键理论从键合能来确定价态;Hume-Rothery电子浓度理论从化合物的结构来定价;余瑞璜的固体与分子经验电子理论从键距差来定价电子结构;谢佑卿的单原子理论从"能"和"形"来定价电子结构。每种理论从不同方面阐述对金属价的理解。A review of various bond valence theories and their principles is presented with a clue to understanding the valence from bond. Pauling determines the valence from combination property and proposes the model aeeording to which the length of a metallic bond is linearly related to the logarithm of a quantity measuring the number of shared electron pairs involved in the bond. Brewer is using what is termed a Born-Haber-type cycle for the calculation of the valence state. Hume-Rothery determines the valence according to the structure of compounds. Yv Ruihuang calculates the valence electron structure by means of the bond length difference method based on the empirical electron theory of solids and molecules. Xie Youqing establishes the one-atom-state theory of pure metals with unity of ＂shape＂ and ＂energy＂ anddevelops one-atom self-consistency method to determine the valence electron structure. Valence of metal is understood from different aspects of each theory.

关 键 词：键价理论Pauling Engel—Brewer Hume-Rothery固体与分子经验电子理论单原子理论 

分 类 号：TG111[金属学及工艺—物理冶金]