基于密度泛函理论的硬度均衡值与稀土氧化物超导性的关系

Study on the Correlation between Equalized Hardness Based on the Density Functional Theory and Superconductivity of Rare Earth Oxide

提出了确定稀土氧化物中元素硬度均衡值ηcq的计算公式,用该式计算了252种稀土氧化物超导体的硬度均衡值ηcq,研究了稀土氧化物的超导性与稀土氧化物硬度均衡值之间的关系.结果表明,稀土氧化物超导体的硬度均衡值ηcq多数集中在4.511-5.343之间,而硬度均衡值在此范围之外的稀土氧化物一般不具有超导性.显然硬度均衡值ηcq可作为稀土氧化物超导性的新的经验判据,这对进一步探讨稀土氧化物的超导机制有一定意义.

A formula used to calculate the equilibrium value of hardness of rare earth oxides（ηcq） was proposed. The ηcq values of 252 rare earth oxide superconductors have been calculated with this formula. The correlation between the equilibrium value of hard- ness and the superconductivity was found. The result shows that the ηcq values of all rare earth oxide superconductors concentrate in a narrow range from 4.511 to 5. 343, and that the rare earth oxides with values beyond this region would be non-superconductive. It is obvious that the equilibrium value of hardness ηcq will be a new empirical criterion for the superconductivity of rare earth oxide, which may be of benefit to study the mechanism of superconductivity.