首页|Ab initio nonadiabatic molecular dynamics study on spin-orbit coupling induced spin dynamics in ferromagnetic metals

Ab initio nonadiabatic molecular dynamics study on spin-orbit coupling induced spin dynamics in ferromagnetic metals

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Understanding the photoexcitation induced spin dynamics in ferromagnetic metals is important for the design of photo-controlled ultrafast spintronic device.In this work,by the ab initio nonadiabatic molecular dynamics simulation,we have studied the spin dynamics induced by spin-orbit coupling(SOC)in Co and Fe using both spin-diabatic and spin-adiabatic representations.In Co system,it is found that the Fermi surface(EF)is predominantly contributed by the spin-minority states.The SOC induced spin flip will occur for the photo-excited spin-majority electrons as they relax to the EF,and the spin-minority electrons tend to relax to the EF with the same spin through the electron-phonon coupling(EPC).The reduction of spin-majority electrons and the increase of spin-minority electrons lead to demagnetization of Co within 100 fs.By contrast,in Fe system,the EF is dominated by the spin-majority states.In this case,the SOC induced spin flip occurs for the photo-excited spin-minority electrons,which leads to a magnetization enhancement.If we move the EF of Fe to higher energy by 0.6 eV,the EF will be contributed by the spin-minority states and the demagnetization will be observed again.This work provides a new perspective for understanding the SOC induced spin dynamics mechanism in magnetic metal systems.

nonadiabatic molecular dynamicsspin dynamicsspin-orbit couplingferromagnetic metal

朱万松、郑镇法、郑奇靖、赵瑾

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Department of Physics and ICQD/Hefei National Research Center for Physical Sciences at the Microscale,University of Science and Technology of China,Hefei 230026,China

Department of Physics and Astronomy,University of Pittsburgh,Pittsburgh,Pennsylvania 15260,USA

Strategic Priority Research Program of the Chinese Academy of SciencesNational Natural Science Foundation of ChinaNational Natural Science Foundation of ChinaInformatization Plan of Chinese Academy of SciencesNational Natural Science Foundation of China

XDB04501011212540811974322CAS-WX2021SF-010512174363

2024

10.1088/1674-1056/acf91d

中国物理B(英文版)
中国物理学会和中国科学院物理研究所

中国物理B(英文版)

CSTPCDEI
影响因子：0.995
ISSN：1674-1056
年,卷(期)：2024.33(1)
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