文章基本信息

标题：Thermal spin fluctuations in CoCrFeMnNi high entropy alloy
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作者：Zhihua Dong ; Stephan Schönecker ; Wei Li 等
期刊名称：Scientific Reports
电子版ISSN：2045-2322
出版年度：2018
卷号：8
期号：1
页码：12211
DOI：10.1038/s41598-018-30732-y
语种：English
出版社：Springer Nature
摘要：High entropy alloys based on 3d transition metals display rich and promising magnetic characteristics for various high-technology applications. Understanding their behavior at finite temperature is, however, limited by the incomplete experimental data for single-phase alloys. Here we use first-principles alloy theory to investigate the magnetic structure of polymorphic CoCrFeMnNi in the paramagnetic state by accounting for the longitudinal spin fluctuations (LSFs) as a function of temperature. In both face-centered cubic (fcc) and hexagonal close-packed (hcp) structures, the LSFs induce sizable magnetic moments for Co, Cr and Ni. The impact of LSFs is demonstrated on the phase stability, stacking fault energy and the fcc-hcp interfacial energy. The hcp phase is energetically preferable to the fcc one at cryogenic temperatures, which results in negative stacking fault energy at these conditions. With increasing temperature, the stacking fault energy increases, suppressing the formation of stacking faults and nano-twins. Our predictions are consistent with recent experimental findings.