The influence of Cu addition on the structural stability and magnetic properties of CoCrNiFe High Entropy alloys were studied by using Monte Carlo method combined with first-principle calculation.The calculation results show that due to the positive binary mixing enthalpy between Cu element and other constituent elements in the alloy,CoCrNiFeCu high entropy alloy forms a short-range ordered structure.The saturation magnetization of CoCrNiFeCu high entropy alloy calculated using a short range ordered structure is 52.2 emu/g,which is more in line with the experimental value(53.4 emu/g)than the result calculated using SQS structure(64.9 emu/g).
关键词
第一性原理计算/短程有序结构/磁学性质
Key words
first-principle calculation/short range ordered structures/magnetic properties
维普
万方数据