Electronic stopping of protons for lithium in the dielectric formulation obtained from first-principles calculations

Mathar, Richard J.; Sabin, John R.; Trickey, S. B.

doi:10.1016/s0168-583x(99)00295-5

Cited by 12 publications

(5 citation statements)

References 187 publications

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“…As an alternative to using a model dielectric function, the dielectric formalism can be cast in terms of the microscopic dielectric function, which can be computed using modern first-principles electronic structure calculations [24,25]. Recently, Shukri and co-workers [26] employed such a dielectric response formalism:…”

Section: Resultsmentioning

confidence: 99%

“…In the last few decades, both rapidly advancing highperformance computers and modern electronic structure methods have made it possible to obtain key parameters in the analytical models directly from first principles theory [24][25][26][27]. Parameter-free methods can go significantly beyond analytical models because they provide detailed information at the atomistic level, allowing one to study the specific influences of defects, surfaces, or even the nature of electronic excitations involved in the stopping process.…”

Section: Introductionmentioning

confidence: 99%

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Electronic stopping for protons andαparticles from first-principles electron dynamics: The case of silicon carbide

Yost

Kanai

2016

Phys. Rev. B

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We present the first-principles determination of electronic stopping power for protons and α-particles in a semiconductor material of great technological interest: silicon carbide. The calculations are based on non-equilibrium simulations of the electronic response to swift ions using real-time time-dependent density functional theory (RT-TDDFT). We compare the results from this first-principles approach to those of the widely used linear response formalism and determine the ion velocity regime within which linear response treatments are appropriate. We also use the non-equilibrium electron densities in our simulations to quantitatively address the long-standing question of the velocity-dependent effective charge state of projectile ions in a material, due to its importance in linear response theory. We further examine the validity of the recently proposed centroid path approximation recently proposed for reducing the computational cost of acquiring stopping power curves from RT-TDDFT simulations.

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Section: Resultsmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Electronic stopping for protons andαparticles from first-principles electron dynamics: The case of silicon carbide

Yost

Kanai

2016

Phys. Rev. B

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“…Existing first-principles calculations of the interaction of charged particles with solids invoke periodicity of the solid in all directions and neglect, therefore, surface effects and, in particular, the excitation of surfaces plasmons [306,307]. An exception is a recent firstprinciples calculation of the energy loss of ions moving parallel with a Mg(0001) surface [308], which accounts naturally for the finite width of the surface-plasmon resonance that is present neither in the self-consistent jellium calculations of [245] nor in the 1D model calculations of [305].…”

Section: Particle-surface Interactions: Energy Lossmentioning

confidence: 99%

Theory of surface plasmons and surface-plasmon polaritons

Pitarke¹,

Silkin²,

Chulkov³

et al. 2006

Rep. Prog. Phys.

1,355

998

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Collective electronic excitations at metal surfaces are well known to play a key role in a wide spectrum of science, ranging from physics and materials science to biology. Here we focus on a theoretical description of the many-body dynamical electronic response of solids, which underlines the existence of various collective electronic excitations at metal surfaces, such as the conventional surface plasmon, multipole plasmons, and the recently predicted acoustic surface plasmon. We also review existing calculations, experimental measurements, and applications.

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“…The low-velocity limit was also investigated, in the case of silicon, on the basis of a static treatment of the density response of the solid [37]. Ab initio band-structure calculations that are based on a full evaluation of the dynamical density-response of the solid have been carried out only very recently [38,39,40].…”

Section: Introductionmentioning

confidence: 99%

Nonlinear, Band-Structure, and Surface Effects in the Interaction of Charged Particles with Solids

Pitarke¹,

Gurtubay²,

Nazarov³

2004

Advances in Quantum Chemistry

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A survey is presented of various aspects of the interaction of charged particles with solids. In the framework of many-body perturbation theory, we study the nonlinear interaction of charged particles with a free gas of interacting electrons; in particular, nonlinear corrections to the stopping power are analyzed, and special emphasis is made on the separate contributions that are originated in the excitation of either electron-hole pairs, single plasmons, or double plasmons. Ab initio calculations of the electronic energy loss of ions moving in real solids are also presented, and the energy loss of charged particles interacting with simple metal surfaces is addressed.

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Electronic stopping of protons for lithium in the dielectric formulation obtained from first-principles calculations

Cited by 12 publications

References 187 publications

Electronic stopping for protons andαparticles from first-principles electron dynamics: The case of silicon carbide

Electronic stopping for protons andαparticles from first-principles electron dynamics: The case of silicon carbide

Theory of surface plasmons and surface-plasmon polaritons

Nonlinear, Band-Structure, and Surface Effects in the Interaction of Charged Particles with Solids

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