点击次数：

所属单位：材料科学与技术学院

发表刊物：CHINESE PHYSICS B

关键字：amorphous alloy ab initio molecular dynamic simulation local atomic structure magnetic properties

摘要：The structural and magnetic properties of Fe80P9B11 amorphous alloy are investigated through ab initio molecular dynamic simulation. The structure evolution of Fe80P9B11 amorphous alloy can be described in the framework of topological fluctuation theory, and the fluctuation of atomic hydrostatic stress gradually decreases upon cooling. The left sub peak of the second peak of Fe-B partial pair distribution functions (PDFs) becomes pronounced below the glass transition temperature, which may be the major reason why B promotes the glass formation ability significantly. The magnetization mainly originates from Fe 3d states, while small contribution results from metalloid elements P and B. This work may be helpful for developing Fe-based metallic glasses with both high saturation flux density and glass formation ability.

ISSN号：1674-1056

是否译文：否

发表时间：2017-06-01

合写作者：朱力,Cao, Cheng-Cheng,Meng, Yang

通讯作者：王寅岗