Adiabatic perturbation theory of electronic stopping in insulators

Horsfield, Andrew P.; Lim, Anthony; Foulkes, W. M. C.; Correa, Alfredo A.

doi:10.1103/PhysRevB.93.245106

Title: Adiabatic perturbation theory of electronic stopping in insulators

Abstract

A model able to explain the complicated structure of electronic stopping at low velocities in insulating materials is presented. It is shown to be in good agreement with results obtained from time-dependent density-functional theory for the stopping of a channeling Si atom in a Si crystal. If we define the repeat frequency f=v/λ, where λ is the periodic repeat length of the crystal along the direction the channeling atom is traveling, and v is the velocity of the channeling atom, we find that electrons experience a perturbing force that varies in time at integer multiples l of f. This enables electronic excitations at low atom velocity, but their contributions diminish rapidly with increasing values of l. The expressions for stopping power are derived using adiabatic perturbation theory for many-electron systems, and they are then specialized to the case of independent electrons. Lastly, a simple model for the nonadiabatic matrix elements is described, along with the procedure for determining its parameters.

Authors:

Horsfield, Andrew P. ^[1]; Lim, Anthony ^[1]; Foulkes, W. M. C. ^[1]; Correa, Alfredo A. ^[2]

Imperial College, London (United Kingdom)
Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)

Publication Date:: Thu Jun 02 00:00:00 EDT 2016

Research Org.:: Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)

Sponsoring Org.:: USDOE

OSTI Identifier:: 1351139

Alternate Identifier(s):: OSTI ID: 1255349

Report Number(s):: LLNL-JRNL-727616
Journal ID: ISSN 2469-9950; PRBMDO

Grant/Contract Number:: AC52-07NA27344

Resource Type:: Accepted Manuscript

Journal Name:: Physical Review B

Additional Journal Information:: Journal Volume: 93; Journal Issue: 24; 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; 42 ENGINEERING

Citation Formats


                    Horsfield, Andrew P., Lim, Anthony, Foulkes, W. M. C., and Correa, Alfredo A. Adiabatic perturbation theory of electronic stopping in insulators.  United States: N. p., 2016. 
Web.  doi:10.1103/PhysRevB.93.245106.

Copy to clipboard


                    Horsfield, Andrew P., Lim, Anthony, Foulkes, W. M. C., & Correa, Alfredo A. Adiabatic perturbation theory of electronic stopping in insulators.  United States.  https://doi.org/10.1103/PhysRevB.93.245106

Copy to clipboard


                    Horsfield, Andrew P., Lim, Anthony, Foulkes, W. M. C., and Correa, Alfredo A. Thu .  
"Adiabatic perturbation theory of electronic stopping in insulators".  United States.  https://doi.org/10.1103/PhysRevB.93.245106.  https://www.osti.gov/servlets/purl/1351139.

Copy to clipboard


                    
@article{osti_1351139,

  title        = {Adiabatic perturbation theory of electronic stopping in insulators},

  author       = {Horsfield, Andrew P. and Lim, Anthony and Foulkes, W. M. C. and Correa, Alfredo A.},

  abstractNote = {A model able to explain the complicated structure of electronic stopping at low velocities in insulating materials is presented. It is shown to be in good agreement with results obtained from time-dependent density-functional theory for the stopping of a channeling Si atom in a Si crystal. If we define the repeat frequency f=v/λ, where λ is the periodic repeat length of the crystal along the direction the channeling atom is traveling, and v is the velocity of the channeling atom, we find that electrons experience a perturbing force that varies in time at integer multiples l of f. This enables electronic excitations at low atom velocity, but their contributions diminish rapidly with increasing values of l. The expressions for stopping power are derived using adiabatic perturbation theory for many-electron systems, and they are then specialized to the case of independent electrons. Lastly, a simple model for the nonadiabatic matrix elements is described, along with the procedure for determining its parameters.},

  doi          = {10.1103/PhysRevB.93.245106},

  journal      = {Physical Review B},

  number       = 24,

  volume       = 93,

  place        = {United States},

  year         = {Thu Jun 02 00:00:00 EDT 2016},

  month        = {Thu Jun 02 00:00:00 EDT 2016}

}

Copy to clipboard

Journal Article:

Free Publicly Available Full Text

Accepted Manuscript (Publisher)

Accepted Manuscript (DOE)

Publisher's Version of Record

https://doi.org/10.1103/PhysRevB.93.245106

Other availability

Search WorldCat to find libraries that may hold this journal

Citation Metrics:

Cited by: 9 works

Citation information provided by
Web of Science

Save / Share:

Export Metadata

Save to My Library

Works referenced in this record:

New model dielectric function and exchange-correlation potential for semiconductors and insulators
journal, May 1982

Levine, Zachary H.; Louie, Steven G.
Physical Review B, Vol. 25, Issue 10
DOI: 10.1103/PhysRevB.25.6310

Vanishing Electronic Energy Loss of Very Slow Light Ions in Insulators with Large Band Gaps
journal, September 2009

Markin, S. N.; Primetzhofer, D.; Bauer, P.
Physical Review Letters, Vol. 103, Issue 11
DOI: 10.1103/PhysRevLett.103.113201

First-principles study of the threshold effect in the electronic stopping power of LiF and ${SiO}_{2}$ for low-velocity protons and helium ions
journal, February 2014

Mao, Fei; Zhang, Chao; Dai, Jinxia
Physical Review A, Vol. 89, Issue 2
DOI: 10.1103/PhysRevA.89.022707

Neutralization and electronic excitation during low-energy H and He scattering from LiF
journal, February 1998

Souda, R.; Suzuki, T.; Yamamoto, K.
Surface Science, Vol. 397, Issue 1-3
DOI: 10.1016/S0039-6028(97)00719-X

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

Pruneda, J. M.; Sánchez-Portal, D.; Arnau, A.
Physical Review Letters, Vol. 99, Issue 23
DOI: 10.1103/PhysRevLett.99.235501

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

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

Lim, A.; Foulkes, W. M. C.; Horsfield, A. P.
Physical Review Letters, Vol. 116, Issue 4
DOI: 10.1103/PhysRevLett.116.043201

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

Artacho, Emilio
Journal of Physics: Condensed Matter, Vol. 19, Issue 27
DOI: 10.1088/0953-8984/19/27/275211

Interpretation of ${Ar}^{+}$ -Ar Collisions at 50 KeV
journal, April 1965

Fano, U.; Lichten, W.
Physical Review Letters, Vol. 14, Issue 16
DOI: 10.1103/PhysRevLett.14.627

Works referencing / citing this record:

Velocity Dependent Dark Matter Interactions in Single-Electron Resolution Semiconductor Detectors with Directional Sensitivity
text, January 2019

Heikinheimo, Matti; Nordlund, Kai; Tuominen, Kimmo
arXiv
DOI: 10.48550/arxiv.1903.08654

Similar Records in DOE PAGES and OSTI.GOV collections:

On the local density dependence of electronic stopping of ions in solids

Journal Article Caro, M. ; Tamm, A. ; Correa, A. A. ; ... - Journal of Nuclear Materials

We usemore »« less
Cited by 10
https://doi.org/10.1016/j.jnucmat.2018.04.019

Full Text Available
Electron–Phonon Coupling in Eliashberg–McMillan Theory Beyond Adiabatic Approximation

Journal Article Sadovskii, M. V., E-mail: sadovski@iep.uran.ru - Journal of Experimental and Theoretical Physics

Eliashberg–McMillan theory of superconductivity is essentially based on the adiabatic approximation. Small parameter of perturbation theory is given by λ((Ω{sub 0})/(E{sub F})) ≪ 1, where λ is the dimensionless electron–phonon coupling constant, Ω{sub 0} is characteristic phonon frequency, while E{sub F} is Fermi energy of electrons. Here we present an attempt to describe the electron–phonon interaction within Eliashberg–McMillan approach in situation, when characteristic phonon frequency Ω{sub 0} becomes large enough (comparable to, or exceeding, the Fermi energy E{sub F}). We consider the general definition of electron–phonon pairing coupling constant λ, taking into account the finite value of phonon frequency. Also,more »« less
https://doi.org/10.1134/S1063776119020122
Two-state approximation in the adiabatic and sudden-perturbation limits

Journal Article Demkov, Y N ; Ostrovskii, V N ; Solov'ev, E A - Phys. Rev., A; (United States)

The properties of the two-state approximation are considered from the point of view of atomic collision theory in the limit of large and small values of a characteristic collision time T. For large T (the adiabatic limit) asymptotically exact expressions are obtained for the elastic-scattering phase shifts and for the nonadiabatic transition probability due to the pseudocrossing of terms. This approximation is carried out under fairly general assumptions about the Hamiltonian, enabling us to consider such processes as transitions between ..sigma..-Pi terms caused by rotation of an internuclear axis. Such general problems of the adiabatic approximation as the applicability ofmore »« less
https://doi.org/10.1103/PhysRevA.18.2089
Electronic band structure effects in the stopping of protons in copper [Electronic band structure non-linear effects in the stopping of protons in copper]

Journal Article Quashie, Edwin E. ; Saha, Bidhan C. ; Correa, Alfredo A. - Physical Review B

Here, we present an ab initio study of the electronic stopping power of protons in copper over a wide range of proton velocities v = 0.02–10a.u. where we take into account nonlinear effects. Time-dependent density functional theory coupled with molecular dynamics is used to study electronic excitations produced by energetic protons. A plane-wave pseudopotential scheme is employed to solve the time-dependent Kohn-Sham equations for a moving ion in a periodic crystal. The electronic excitations and the band structure determine the stopping power of the material and alter the interatomic forces for both channeling and off-channeling trajectories. Our off-channeling results aremore »« less
Cited by 49
https://doi.org/10.1103/PhysRevB.94.155403

Full Text Available
Accurate atomistic first-principles calculations of electronic stopping

Journal Article Schleife, André ; Kanai, Yosuke ; Correa, Alfredo A. - Physical Review. B, Condensed Matter and Materials Physics

In this paper, we show that atomistic first-principles calculations based on real-time propagation within time-dependent density functional theory are capable of accurately describing electronic stopping of light projectile atoms in metal hosts over a wide range of projectile velocities. In particular, we employ a plane-wave pseudopotential scheme to solve time-dependent Kohn-Sham equations for representative systems of H and He projectiles in crystalline aluminum. This approach to simulate nonadiabatic electron-ion interaction provides an accurate framework that allows for quantitative comparison with experiment without introducing ad hoc parameters such as effective charges, or assumptions about the dielectric function. Finally, our work clearlymore »« less
Cited by 105
https://doi.org/10.1103/PhysRevB.91.014306

Full Text Available

Similar Records

Title: Adiabatic perturbation theory of electronic stopping in insulators

Abstract

Citation Formats

New model dielectric function and exchange-correlation potential for semiconductors and insulators journal, May 1982

Vanishing Electronic Energy Loss of Very Slow Light Ions in Insulators with Large Band Gaps journal, September 2009

First-principles study of the threshold effect in the electronic stopping power of LiF and SiO 2 for low-velocity protons and helium ions journal, February 2014

Neutralization and electronic excitation during low-energy H and He scattering from LiF journal, February 1998

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

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

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

Interpretation of Ar + -Ar Collisions at 50 KeV journal, April 1965

Velocity Dependent Dark Matter Interactions in Single-Electron Resolution Semiconductor Detectors with Directional Sensitivity text, January 2019

New model dielectric function and exchange-correlation potential for semiconductors and insulators
journal, May 1982

Vanishing Electronic Energy Loss of Very Slow Light Ions in Insulators with Large Band Gaps
journal, September 2009

First-principles study of the threshold effect in the electronic stopping power of LiF and ${SiO}_{2}$ for low-velocity protons and helium ions
journal, February 2014

Neutralization and electronic excitation during low-energy H and He scattering from LiF
journal, February 1998

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

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

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

Interpretation of ${Ar}^{+}$ -Ar Collisions at 50 KeV
journal, April 1965

Velocity Dependent Dark Matter Interactions in Single-Electron Resolution Semiconductor Detectors with Directional Sensitivity
text, January 2019