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Title: Spin-density fluctuations and the fluctuation-dissipation theorem in 3 d ferromagnetic metals

Abstract

Spatial and time scales of spin-density fluctuations (SDFs) were analyzed in 3d ferromagnets using ab initio linear-response calculations of complete wave-vector and energy dependence of the dynamic spin susceptibility tensor. We demonstrate that SDFs are spread continuously over the entire Brillouin zone and while the majority of them reside within the 3d bandwidth, a significant amount comes from much higher energies. A validity of the adiabatic approximation in spin dynamics is discussed. The SDF spectrum is shown to have two main constituents: a minor low-energy spin-wave contribution and a much larger high-energy component from more localized excitations. Furthermore, using the fluctuation-dissipation theorem, the on-site spin correlator and the related effective fluctuating moment were properly evaluated and their universal dependence on the 3d band population is further discussed.

Authors:
 [1];  [2];  [3];  [4];  [4];  [4];  [2];  [1]
+ Show Author Affiliations
  1. Ames Lab., Ames, IA (United States)
  2. Univ. of Hamburg, Hamburg (Germany); The Hamburg Centre for Ultrafast Imaging, Hamburg (Germany)
  3. Ames Lab., Ames, IA (United States); Brookhaven National Lab. (BNL), Upton, NY (United States)
  4. Max Planck Institute of Microstructure Physics, Halle (Germany)
Publication Date:
Research Org.:
Ames Lab., Ames, IA (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
OSTI Identifier:
1410345
Alternate Identifier(s):
OSTI ID: 1408933
Report Number(s):
IS-J-9506
Journal ID: ISSN 2469-9950; PRBMDO
Grant/Contract Number:  
AC02-07CH11358
Resource Type:
Accepted Manuscript
Journal Name:
Physical Review B
Additional Journal Information:
Journal Volume: 96; Journal Issue: 18; Journal ID: ISSN 2469-9950
Publisher:
American Physical Society (APS)
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE

Citation Formats

Wysocki, Alex L., Valmispild, V. N., Kutepov, A., Sharma, S., Dewhurst, J. K., Gross, E. K. U., Lichtenstein, A. I., and Antropov, V. P.. Spin-density fluctuations and the fluctuation-dissipation theorem in 3d ferromagnetic metals. United States: N. p., 2017. Web. doi:10.1103/PhysRevB.96.184418.
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Wysocki, Alex L., Valmispild, V. N., Kutepov, A., Sharma, S., Dewhurst, J. K., Gross, E. K. U., Lichtenstein, A. I., & Antropov, V. P.. Spin-density fluctuations and the fluctuation-dissipation theorem in 3d ferromagnetic metals. United States. https://doi.org/10.1103/PhysRevB.96.184418
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Wysocki, Alex L., Valmispild, V. N., Kutepov, A., Sharma, S., Dewhurst, J. K., Gross, E. K. U., Lichtenstein, A. I., and Antropov, V. P.. Wed . "Spin-density fluctuations and the fluctuation-dissipation theorem in 3d ferromagnetic metals". United States. https://doi.org/10.1103/PhysRevB.96.184418. https://www.osti.gov/servlets/purl/1410345.
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@article{osti_1410345,
title = {Spin-density fluctuations and the fluctuation-dissipation theorem in 3d ferromagnetic metals},
author = {Wysocki, Alex L. and Valmispild, V. N. and Kutepov, A. and Sharma, S. and Dewhurst, J. K. and Gross, E. K. U. and Lichtenstein, A. I. and Antropov, V. P.},
abstractNote = {Spatial and time scales of spin-density fluctuations (SDFs) were analyzed in 3d ferromagnets using ab initio linear-response calculations of complete wave-vector and energy dependence of the dynamic spin susceptibility tensor. We demonstrate that SDFs are spread continuously over the entire Brillouin zone and while the majority of them reside within the 3d bandwidth, a significant amount comes from much higher energies. A validity of the adiabatic approximation in spin dynamics is discussed. The SDF spectrum is shown to have two main constituents: a minor low-energy spin-wave contribution and a much larger high-energy component from more localized excitations. Furthermore, using the fluctuation-dissipation theorem, the on-site spin correlator and the related effective fluctuating moment were properly evaluated and their universal dependence on the 3d band population is further discussed.},
doi = {10.1103/PhysRevB.96.184418},
journal = {Physical Review B},
number = 18,
volume = 96,
place = {United States},
year = {2017},
month = {11}
}
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https://doi.org/10.1103/PhysRevB.96.184418
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Works referenced in this record:

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    Theoretical prediction of a highly responsive material: Spin fluctuations and superconductivity in FeNiB 2 system
    journal, October 2019

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    • Applied Physics Letters, Vol. 115, Issue 18
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    Spin-fluctuation and spin-relaxation effects of single adatoms from first principles
    journal, August 2018

    • Ibañez-Azpiroz, Julen; dos Santos Dias, Manuel; Blügel, Stefan
    • Journal of Physics: Condensed Matter, Vol. 30, Issue 34
    • DOI: 10.1088/1361-648x/aad43d

    Spin dynamics from time-dependent density functional perturbation theory
    journal, October 2018

    • Gorni, Tommaso; Timrov, Iurii; Baroni, Stefano
    • The European Physical Journal B, Vol. 91, Issue 10
    • DOI: 10.1140/epjb/e2018-90247-9

    Spin dynamics from time-dependent density functional perturbation theory
    text, January 2018

    Spin-fluctuation and spin-relaxation effects of single adatoms from first principles
    text, January 2018

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