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Title: Electronic stopping power of protons and alpha particles in nickel

Abstract

The electronic stopping power of nickel for protons and alpha particles at velocities below and around the Fermi velocity has been obtained to high accuracy using time-dependent density functional theory. For the wide range of projectile velocities considered, we observed di erent regimes of electronic stopping due to the alternative participation of s- and d-band electrons. Despite the sharp discontinuity in the electronic density of states near the Fermi energy characteristic of the nickel band structure, we do not nd an anomalous non-linear electronic stopping power limit as a function of velocity. However, we nd a crossover region above v = 0:15 a:u: both for protons and alpha particles, related to the increase in participating host electrons and, in the case of alpha particles, to an increase of the charge state. We compare our calculated results with widely available experimental data and analyze the low velocity limits in the context of Lindhard's linear response theory and previous non-linear density functional calculations. The comparison shows good accord with the lowest velocity experiments available. This may indicate that the adiabatic local density approximation is already a good theory to calculate electronic stopping power in materials at low velocity.

Authors:
 [1];  [1]
  1. Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)
Publication Date:
Research Org.:
Energy Frontier Research Centers (EFRC) (United States). Energy Dissipation to Defect Evolution (EDDE); Lawrence Livermore National Laboratory (LLNL), Livermore, CA (United States)
Sponsoring Org.:
USDOE National Nuclear Security Administration (NNSA)
OSTI Identifier:
1497313
Alternate Identifier(s):
OSTI ID: 1485199
Report Number(s):
LLNL-JRNL-749644
Journal ID: ISSN 2469-9950; PRBMDO; 933887
Grant/Contract Number:  
AC52-07NA27344; AC05-00OR22725
Resource Type:
Accepted Manuscript
Journal Name:
Physical Review B
Additional Journal Information:
Journal Volume: 98; Journal Issue: 23; Journal ID: ISSN 2469-9950
Publisher:
American Physical Society (APS)
Country of Publication:
United States
Language:
English
Subject:
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY

Citation Formats

Quashie, Edwin E., and Correa, Alfredo A. Electronic stopping power of protons and alpha particles in nickel. United States: N. p., 2018. Web. doi:10.1103/PhysRevB.98.235122.
Quashie, Edwin E., & Correa, Alfredo A. Electronic stopping power of protons and alpha particles in nickel. United States. https://doi.org/10.1103/PhysRevB.98.235122
Quashie, Edwin E., and Correa, Alfredo A. Mon . "Electronic stopping power of protons and alpha particles in nickel". United States. https://doi.org/10.1103/PhysRevB.98.235122. https://www.osti.gov/servlets/purl/1497313.
@article{osti_1497313,
title = {Electronic stopping power of protons and alpha particles in nickel},
author = {Quashie, Edwin E. and Correa, Alfredo A.},
abstractNote = {The electronic stopping power of nickel for protons and alpha particles at velocities below and around the Fermi velocity has been obtained to high accuracy using time-dependent density functional theory. For the wide range of projectile velocities considered, we observed di erent regimes of electronic stopping due to the alternative participation of s- and d-band electrons. Despite the sharp discontinuity in the electronic density of states near the Fermi energy characteristic of the nickel band structure, we do not nd an anomalous non-linear electronic stopping power limit as a function of velocity. However, we nd a crossover region above v = 0:15 a:u: both for protons and alpha particles, related to the increase in participating host electrons and, in the case of alpha particles, to an increase of the charge state. We compare our calculated results with widely available experimental data and analyze the low velocity limits in the context of Lindhard's linear response theory and previous non-linear density functional calculations. The comparison shows good accord with the lowest velocity experiments available. This may indicate that the adiabatic local density approximation is already a good theory to calculate electronic stopping power in materials at low velocity.},
doi = {10.1103/PhysRevB.98.235122},
journal = {Physical Review B},
number = 23,
volume = 98,
place = {United States},
year = {Mon Dec 10 00:00:00 EST 2018},
month = {Mon Dec 10 00:00:00 EST 2018}
}

Journal Article:

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Cited by: 21 works
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Works referenced in this record:

Stopping of 5–100 keV helium in molybdenum, chromium, copper and nickel
journal, June 1998

  • Sillanpää, J.; Vainonen-Ahlgren, E.; Haussalo, P.
  • Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms, Vol. 142, Issue 1-2
  • DOI: 10.1016/S0168-583X(98)00250-X

Electronic Stopping Power in LiF from First Principles
journal, December 2007


Zur Theorie des Durchgangs schneller Korpuskularstrahlen durch Materie
journal, January 1930


Electron Elevator: Excitations across the Band Gap via a Dynamical Gap State
journal, January 2016


Electronic stopping in insulators: a simple model
journal, June 2007


Calculating electronic stopping power in materials from first principles
journal, July 2018


Accurate atomistic first-principles calculations of electronic stopping
journal, January 2015


Architecture of Qbox: A scalable first-principles molecular dynamics code
journal, January 2008

  • Gygi, F.
  • IBM Journal of Research and Development, Vol. 52, Issue 1.2
  • DOI: 10.1147/rd.521.0137

Electronic stopping power in a narrow band gap semiconductor from first principles
journal, March 2015


Electron-phonon coupling and electron heat capacity of metals under conditions of strong electron-phonon nonequilibrium
journal, February 2008


Electronic Stopping Cross Sections for H 1 and He 4 Particles in Cr, Mn, Co, Ni, and Cu at Energies near 100 keV
journal, November 1969


Zur Bremsung rasch bewegter Teilchen beim Durchgang durch Materie
journal, January 1933


Plane-wave pseudopotential implementation of explicit integrators for time-dependent Kohn-Sham equations in large-scale simulations
journal, December 2012

  • Schleife, André; Draeger, Erik W.; Kanai, Yosuke
  • The Journal of Chemical Physics, Vol. 137, Issue 22
  • DOI: 10.1063/1.4758792

Propagators for the Time-Dependent Kohn–Sham Equations: Multistep, Runge–Kutta, Exponential Runge–Kutta, and Commutator Free Magnus Methods
journal, April 2018

  • Gómez Pueyo, Adrián; Marques, Miguel A. L.; Rubio, Angel
  • Journal of Chemical Theory and Computation, Vol. 14, Issue 6
  • DOI: 10.1021/acs.jctc.8b00197

SRIM – The stopping and range of ions in matter (2010)
journal, June 2010

  • Ziegler, James F.; Ziegler, M. D.; Biersack, J. P.
  • Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms, Vol. 268, Issue 11-12
  • DOI: 10.1016/j.nimb.2010.02.091

Electronic Stopping Power in Gold: The Role of d Electrons and the H / He Anomaly
journal, May 2012


Inelastic losses of low-energy ions transmitted through thin films
journal, May 1993

  • Mikheev, S.; Ryzhov, Yu.; Shkarban, I.
  • Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms, Vol. 78, Issue 1-4
  • DOI: 10.1016/0168-583X(93)95782-Z

Stopping ratios for 30–330 keV ions with 1≤ Z 1 ≤5
journal, November 1982

  • Mertens, P.; Krist, Th.
  • Journal of Applied Physics, Vol. 53, Issue 11
  • DOI: 10.1063/1.330142

Core Electrons in the Electronic Stopping of Heavy Ions
journal, September 2018


Systematic analysis of different experimental approaches to measure electronic stopping of very slow hydrogen ions
journal, December 2018

  • Roth, D.; Celedon, C. E.; Goebl, D.
  • Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms, Vol. 437
  • DOI: 10.1016/j.nimb.2018.09.028

Electronic band structure effects in the stopping of protons in copper
journal, October 2016


Stopping Cross Section of Solids for Protons, 50-600 kev
journal, July 1956


Interaction of slow ions with matter
journal, April 1989

  • Echenique, P. M.; Nagy, I.; Arnau, A.
  • International Journal of Quantum Chemistry, Vol. 36, Issue S23
  • DOI: 10.1002/qua.560360854

Energetics of intrinsic point defects in Zr Si O 4
journal, March 2005


Analytical formula for the stopping power of low-energy ions in a free-electron gas
journal, March 2014


Stopping powers for 20–140 keV H+ and He+ on Ni, Ag and Au
journal, December 1981

  • Thompson, D. A.; Poehlman, W. F. S.; Presunka, P.
  • Nuclear Instruments and Methods in Physics Research, Vol. 191, Issue 1-3
  • DOI: 10.1016/0029-554X(81)91047-8

Ewald Summation for Molecular Simulations
journal, July 2015

  • Wells, Brad A.; Chaffee, Alan L.
  • Journal of Chemical Theory and Computation, Vol. 11, Issue 8
  • DOI: 10.1021/acs.jctc.5b00093

Experimental and theoretical study of the energy loss of Be and B ions in Zn
journal, April 2009


Influence of chemical disorder on energy dissipation and defect evolution in advanced alloys
journal, August 2016

  • Zhang, Yanwen; Jin, Ke; Xue, Haizhou
  • Journal of Materials Research, Vol. 31, Issue 16
  • DOI: 10.1557/jmr.2016.269

Special points for Brillouin-zone integrations
journal, June 1976

  • Monkhorst, Hendrik J.; Pack, James D.
  • Physical Review B, Vol. 13, Issue 12, p. 5188-5192
  • DOI: 10.1103/PhysRevB.13.5188

Threshold effect in the energy loss of slow protons and deuterons channeled in Au crystals
journal, January 2007


An apparatus to measure stopping powers for low-energy antiprotons and protons
journal, September 2002

  • Andersen, H. H.; Csete, A.; Ichioka, T.
  • Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms, Vol. 194, Issue 3
  • DOI: 10.1016/S0168-583X(02)00692-4

Electronic Stopping of Slow Protons in Oxides: Scaling Properties
journal, October 2017


Nonadiabatic Forces in Ion-Solid Interactions: The Initial Stages of Radiation Damage
journal, May 2012


Motion of swift charged particles, as influenced by strings of atoms in crystals
journal, September 1964


Electronic interaction of very slow light ions in Au: Electronic stopping and electron emission
journal, November 2008


Modified Ehrenfest Formalism for Efficient Large-Scale ab initio Molecular Dynamics
journal, March 2009

  • Andrade, Xavier; Castro, Alberto; Zueco, David
  • Journal of Chemical Theory and Computation, Vol. 5, Issue 4
  • DOI: 10.1021/ct800518j

Energy loss of slow protons in solids: Deviation from the proportionality with projectile velocity
journal, February 1994


The Stopping Powers of Various Elements for Protons of Energies from 400 to 1050 kev
journal, February 1954

  • Chilton, Arthur B.; Cooper, John N.; Harris, James C.
  • Physical Review, Vol. 93, Issue 3
  • DOI: 10.1103/PhysRev.93.413

Propagators for the time-dependent Kohn–Sham equations
journal, August 2004

  • Castro, Alberto; Marques, Miguel A. L.; Rubio, Angel
  • The Journal of Chemical Physics, Vol. 121, Issue 8
  • DOI: 10.1063/1.1774980

A charge state approach to the stopping power of ions in solids
journal, June 1992

  • Arnau, A.; Peñalba, M.; Echenique, P. M.
  • Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms, Vol. 69, Issue 1
  • DOI: 10.1016/0168-583X(92)95744-C

Self-interaction correction to density-functional approximations for many-electron systems
journal, May 1981


Stopping power of nickel for protons and He 4 + ions in the energy range 20 to 95 keV
journal, February 1967

  • Bogdanov, G. F.; Kabaev, V. P.; Lebedev, F. V.
  • Soviet Atomic Energy, Vol. 22, Issue 2
  • DOI: 10.1007/BF01246275

Electronic Stopping of Slow Protons in Transition and Rare Earth Metals: Breakdown of the Free Electron Gas Concept
journal, March 2017


Role of d electrons in electronic stopping of slow light ions
journal, June 2013


Time-dependent density-functional theory for the stopping power of an interacting electron gas for slow ions
journal, March 2005


Antiproton Stopping at Low Energies: Confirmation of Velocity-Proportional Stopping Power
journal, April 2002


Cutoff Errors in the Ewald Summation Formulae for Point Charge Systems
journal, January 1992


The electrostatic surface term: (I) Periodic systems
journal, March 2007

  • Herce, Henry David; Garcia, Angel Enrique; Darden, Thomas
  • The Journal of Chemical Physics, Vol. 126, Issue 12
  • DOI: 10.1063/1.2714527

The Capture of Negative Mesotrons in Matter
journal, September 1947


Works referencing / citing this record:

Electronic interaction of slow hydrogen and helium ions in the nickel-silicon system
text, January 2019