Self-consistent calculation of the electron energy spectrum of aluminum

Silkin, Viatcheslav M.; Чулков, Е. В.; Sklyadneva, I. Yu.; Панин, В. Е.

doi:10.1007/bf00892431

Cited by 18 publications

(15 citation statements)

References 12 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…We evaluate the excitation spectrum in Pd considering a fcc lattice with the lattice parameter a c = 7.3512 a.u. The central ingredients of its derivation-the one-particle energies ε nk and wave functions ψ nk (r)-were obtained from the selfconsistent solution of the Kohn-Sham equations using the band structure code [31]. The LDA exchange-correlation potential of Ref.…”

Section: Calculation Methodsmentioning

confidence: 99%

Temperature effect on acoustic plasmons

et al. 2016

Self Cite

View full text Add to dashboard Cite

The presence of several kinds of carriers at the Fermi surface results in interesting complex dielectric properties of the bulk Pd in the low-energy excitation range. A most spectacular manifestation of this is the presence of a collective electronic excitation characterized by a soundlike dispersion, termed acoustic plasmon (AP). Due to the characteristic dispersion reaching zero energy in the long-wavelength limit, the question of the thermal stability of the excitation spectrum arises. In this work we explore this problem investigating the thermal effect on the electronic excitation spectrum in this material, tracing how the AP properties vary with the temperature increase. The main effect consists in the gradual destruction of AP in the energy range corresponding to the temperature.

show abstract

Section: Calculation Methodsmentioning

confidence: 99%

Temperature effect on acoustic plasmons

et al. 2016

Self Cite

View full text Add to dashboard Cite

show abstract

“…For the evaluation of wave functions nk (r) and oneelectron energies nk we employ a self-consistent pseudopotential method with the local-density approximation ͑LDA͒ for the exchange-correlation potential. 38 To describe the Be electron-ion interaction, a norm-conserving pseudopotential 39 has been used. The calculations have been performed for a hcp crystal structure with experimental lattice parameters aϭ2.2850 Å and cϭ3.5847 Å.…”

Section: Calculation Methodsmentioning

confidence: 99%

First-principles calculation of the electron inelastic mean free path in Be metal

2003

Self Cite

View full text Add to dashboard Cite

The Be electron inelastic mean free path ͑IMFP͒ is calculated by using the GW approximation of many-body theory. It is demonstrated that the inclusion of band structure effects significantly improves the agreement between the calculated and measured IMFP in the energy range up to ϳ30 eV. We show that the main effect results from the electron group velocity obtained from ab initio band structure calculations, whereas the evaluated linewidth averaged over momenta is not significantly affected with respect to the prediction of a free electron gas model. The comparison of the IMFP computed within two models, namely, the free electron gas model and the full band structure model, supports the idea of the importance of band structure effects for the description of electron transport in this metal for energies below 30 eV, and a nearly free-electron-like behavior for excitation energies above 30 eV. The calculated plasmon dispersion is in excellent agreement with available experimental data.

show abstract

“…The self-consistent band structure was obtained employing a homemade code [69]. The Troullier-Martins normconserving pseudopotential was used for the description of the electron-ion interaction in Pd [70].…”

Section: Calculation Methodsmentioning

confidence: 99%