FeSiBPCu非晶合金磁性的EET理论计算  

EET theoretical calculation on magnetism of amorphous FeSiBPCu alloys

作　　者：郭轩轩 吴萧雨 罗志群 张于顺 谷月[2] 李胜利[1] 李雪[1] GUO Xuanxuan;WU Xiaoyu;LUO Zhiqun;ZAHNG Yushun;GU Yue;LI Shengli;LI Xue(School of Materials and Metallurgy,University of Science and Technology Liaoning,Anshan 114051,China;School of Science,University of Science and Technology Liaoning,Anshan 114051,China)

机构地区：[1]辽宁科技大学材料与冶金学院,辽宁鞍山114051 [2]辽宁科技大学理学院,辽宁鞍山114051

出　　处：《辽宁科技大学学报》2020年第2期91-96,共6页Journal of University of Science and Technology Liaoning

基　　金：国家自然科学基金(51501084);辽宁省教育厅创新团队项目(LT2016003);辽宁科技大学大学生创新创业训练计划(201810146075)。

摘　　要：采用熔体旋淬法制备了(Fe0.76Si0.096B0.084P0.06)100-xCux(x=0,0.1,0.3,0.5)非晶合金,使用X射线衍射仪(XRD)、透射电镜(TEM)和振动样品磁强计(VSM))对其进行表征,结果表明,制备的急冷条带均为非晶态。利用固体与分子经验电子理论,从价电子层次上计算了(Fe0.76Si0.096B0.084P0.06)100-xCux(x=0,0.1,0.3,0.5)非晶合金的价电子结构和磁矩,磁矩的理论计算值163.918、163.692、163.231、162.800 emu/g与实验值160.1、159.0、155.6和153.3 emu/g的误差均小于10%。为新的合金成分设计提供了一种新思路。Amorphous alloys(Fe0.76Si0.096B0.084P0.06)100-xCux(x=0,0.1,0.3,0.5)was prepared by melt spinning method,and characterized by using X-ray diffractometer(XRD),transmission electron microscope(TEM),and vibrating sample magnetometer(VSM).The results show that the prepared strips are all amorphous after quenching.Using the empirical electron theory of solids and molecules,the valence electron structure and magnetic moment of the amorphous alloys were calculated on the valence electron level.The deviation between the calculated magnetic moments of 163.918,163.692,163.231,162.800 emu/g and the experimental values of 160.1,159.0,155.6 and 153.3 emu/g are less than 10%.This work provides a new idea for the design of new alloy composition.

关 键 词：非晶合金 价电子结构 EET理论 磁矩 

分 类 号：TB31[一般工业技术—材料科学与工程]