论文标题
研究二氧化碳合金的结构，电子和磁性的研究：实验和理论
Investigation on structural, electronic and magnetic properties of Co2FeGe Heusler alloy: experiment and theory
论文作者
论文摘要
对二氧化碳合金合金进行了实验和计算研究。发现合金具有非常高的实验磁矩为6.1 MUB/F.U。，CURIE温度为1073K，并且非常高的自旋波刚度常数为10.4 nm2-MEV，这表明磁矩非常高，并且随温度的变化而变化，范围为0-300K。合金严格遵循Slater-pauling（SP）规则，与其SP值相距较小的实验偏差是合理的，这是合理的，通过执行全势密度功能计算，当通过常规的GGA方法考虑到电子电子相关参数（U）时，这将产生更准确的结果。晶格应变和电子相关对单个原子矩，总磁矩和自旋极化的影响进行详细研究，并且可以得出结论，它们在实验结果与预期理论值的偏离中起作用。
Experimental and computational studies were performed on Co2FeGe Heusler alloy. It was found that the alloy has very high experimental magnetic moment of 6.1 muB/f.u., curie temperature of 1073K and very high spin-wave stiffness constant of 10.4 nm2-meV, which indicates that the magnetic moment is very high and do not vary with change in temperature in the range 0-300K. The alloy strictly follows Slater-Pauling (SP) rule and the minor experimental deviation from its SP value is justified by doing full-potential density functional calculations which gives more accurate result when electron-electron correlation parameter (U) is taken into account with conventional GGA method. Effect of lattice strain and electron correlation on individual atomic moments, total magnetic moment and spin-polarization is studied in detail and can be concluded that they have a role in the deviation of the experimental results from the expected theoretical values.
