密度泛函理论的硬度与氧化物超导性的关系  

A Study of the Correlation Between the Hardness of the Element and High Temperature Superconductivity of Oxides by Utilizing Density Functional Theory

作　　者：王鸿江[1] 黄光静[1] 

机构地区：[1]重庆师范大学化学学院,重庆400047

出　　处：《重庆师范大学学报（自然科学版）》2007年第2期57-59,共3页Journal of Chongqing Normal University:Natural Science

基　　金：重庆市教委科学技术研究项目(No.040806)

摘　　要：研究了氧化物超导体与元素硬度之间的关系,用硬度均衡值X_1作为氧化物超导性新的经验判据,并用均方根公式确定X_1集中在4.75—5.53这样一个狭窄的范围内,而硬度均衡值在此范围之外的氧化物不具有超导性。这对于进一步探讨氧化物的超导机制有着十分重大的意义。In this article the correlation between the hardness of the element and high temperature superconductivity for oxide is worked out. It is suggested that the equalizing hardness（X1 ） can be used as a empirical criterion for superconductivity of oxides. A new formula for the calculation of X1 values has been obtained. The X1 values of oxides superconductivity have been calculated. The result shows that concentrate in a narrow range of 4.75 to 5.53 and that the oxides with values out side this region would be non-superconductive. It is clear that this result is able to benefit further inquiries about the mechanism of superconductivity.

关 键 词：超导体 硬度值均衡值 密度泛函理论 

分 类 号：O611.62[理学—无机化学]