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Title: Manifestation of intra-atomic 5 d6 s-4 f exchange coupling in photoexcited gadolinium

Abstract

Intra-atomic exchange couplings (IECs) between 5$d$6$s$ and 4$f$ electrons are ubiquitous in rare-earth metals and play a critical role in spin dynamics. However, detecting them in real time domain has been difficult. Here we show the direct evidence of IEC between 5$d$6$s$ and 4$f$ electrons in gadolinium. Upon femtosecond laser excitation, 5$d$6$s$ electrons are directly excited; their majority bands shift toward the Fermi level while their minority bands do the opposite. For the first time, our first-principles minority shift now agrees with the experiment quantitatively. Excited 5$d$6$s$ electrons lower the exchange potential barrier for 4$f$ electrons, so the 4$f$ states are also shifted in energy, a prediction that can be tested experimentally. Although a significant number of 5$d$6$s$ electrons, some several eV below the Fermi level, are excited out of the Fermi sea, there is no change in the 4$f$ states, a clear manifestation of intra-atomic exchange coupling.

Authors:
ORCiD logo [1];  [1];  [1];  [2]
  1. Indiana State Univ., Terre Haute, IN (United States). Dept. of Physics
  2. Indiana State Univ., Terre Haute, IN (United States). Office of Information Technology
Publication Date:
Research Org.:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). National Energy Research Scientific Computing Center (NERSC)
Sponsoring Org.:
USDOE Office of Science (SC)
OSTI Identifier:
1523471
Grant/Contract Number:  
[FG02-06ER46304; AC02-05CH11231]
Resource Type:
Accepted Manuscript
Journal Name:
Journal of Physics. Condensed Matter
Additional Journal Information:
[ Journal Volume: 29; Journal Issue: 49]; Journal ID: ISSN 0953-8984
Publisher:
IOP Publishing
Country of Publication:
United States
Language:
English
Subject:
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY

Citation Formats

Zhang, G. P., Jenkins, T., Bennett, M., and Bai, Y. H. Manifestation of intra-atomic 5d6s-4f exchange coupling in photoexcited gadolinium. United States: N. p., 2017. Web. doi:10.1088/1361-648X/aa986c.
Zhang, G. P., Jenkins, T., Bennett, M., & Bai, Y. H. Manifestation of intra-atomic 5d6s-4f exchange coupling in photoexcited gadolinium. United States. doi:10.1088/1361-648X/aa986c.
Zhang, G. P., Jenkins, T., Bennett, M., and Bai, Y. H. Fri . "Manifestation of intra-atomic 5d6s-4f exchange coupling in photoexcited gadolinium". United States. doi:10.1088/1361-648X/aa986c. https://www.osti.gov/servlets/purl/1523471.
@article{osti_1523471,
title = {Manifestation of intra-atomic 5d6s-4f exchange coupling in photoexcited gadolinium},
author = {Zhang, G. P. and Jenkins, T. and Bennett, M. and Bai, Y. H.},
abstractNote = {Intra-atomic exchange couplings (IECs) between 5$d$6$s$ and 4$f$ electrons are ubiquitous in rare-earth metals and play a critical role in spin dynamics. However, detecting them in real time domain has been difficult. Here we show the direct evidence of IEC between 5$d$6$s$ and 4$f$ electrons in gadolinium. Upon femtosecond laser excitation, 5$d$6$s$ electrons are directly excited; their majority bands shift toward the Fermi level while their minority bands do the opposite. For the first time, our first-principles minority shift now agrees with the experiment quantitatively. Excited 5$d$6$s$ electrons lower the exchange potential barrier for 4$f$ electrons, so the 4$f$ states are also shifted in energy, a prediction that can be tested experimentally. Although a significant number of 5$d$6$s$ electrons, some several eV below the Fermi level, are excited out of the Fermi sea, there is no change in the 4$f$ states, a clear manifestation of intra-atomic exchange coupling.},
doi = {10.1088/1361-648X/aa986c},
journal = {Journal of Physics. Condensed Matter},
number = [49],
volume = [29],
place = {United States},
year = {2017},
month = {11}
}

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