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    Nonlinear electronic stopping of negatively charged particles in liquid water

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    Authors
    Koval, N.E.
    Da Pieve, F.
    Gu, B.
    Muñoz-Santiburcio, D.
    Kohanoff, J.
    Artacho, E.
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    Discipline
    Physical sciences
    Subject
    First-principles calculations
    Radiation damage
    Water
    Density functional calculations
    Time-dependent DFT
    Condensed Matter
    Materials & Applied Physics
    Audience
    Scientific
    Date
    2023
    Metadata
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    Description
    We present real-time time-dependent density-functional-theory calculations of the electronic stopping power for negative and positive projectiles (electrons, protons, antiprotons, and muons) moving through liquid water. After correction for finite mass effects, the nonlinear stopping power obtained in this paper is significantly different from the previously known results from semiempirical calculations based on the dielectric response formalism. Linear-nonlinear discrepancies are found both in the maximum value of the stopping power and the Bragg peak's position. Our results indicate the importance of the nonlinear description of electronic processes, particularly, for electron projectiles, which are modeled here as classical point charges. Our findings also confirm the expectation that the quantum nature of the electron projectile should substantially influence the stopping power around the Bragg peak and below.
    Citation
    Koval, N.E.; Da Pieve, F.; Gu, B.; Muñoz-Santiburcio, D.; Kohanoff, J.; Artacho, E. (2023). Nonlinear electronic stopping of negatively charged particles in liquid water. , Physical Review Research, Vol. 5, Issue 3, A033063, DOI: 10.1103/PhysRevResearch.5.033063.
    Identifiers
    uri: https://orfeo.belnet.be/handle/internal/11052
    doi: http://dx.doi.org/10.1103/PhysRevResearch.5.033063
    scopus:
    Type
    Article
    Peer-Review
    Yes
    Language
    eng
    Links
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