2014
DOI: 10.1103/physrevb.90.165121
|View full text |Cite
|
Sign up to set email alerts
|

Effects of5delectrons and spin-orbit interaction on the characteristics of bulk plasmons in lead

Abstract: An ab initio study of the dynamical dielectric response of bulk lead is presented. The influence of the 5d semicore states on the characteristics of the bulk plasmon is analyzed by means of first-principles pseudopotential calculations. The effects of spin-orbit interactions and local-fields are also studied in detail. The inclusion of the 5d semicore states in the valence configuration completely changes the high-energy-transfer dielectric properties of bulk Pb. In particular, it lowers the computed bulk plas… Show more

Help me understand this report

Search citation statements

Order By: Relevance

Paper Sections

Select...
2
1
1
1

Citation Types

1
4
0

Year Published

2015
2015
2021
2021

Publication Types

Select...
6

Relationship

3
3

Authors

Journals

citations
Cited by 6 publications
(5 citation statements)
references
References 70 publications
(102 reference statements)
1
4
0
Order By: Relevance
“…This is owing to optical transitions from semicore states of atoms (5d states of bismuth and 4d states of tellurium and iodine) to unoccupied states. A similar effect of the influence of semicore electrons was also observed for lead [30]. Photons with the energy corresponding to the energy of σ plasmons and higher than the energy of σ + π plasmons can pass freely through the sample.…”
Section: Role Of Anisotropy and Spin-orbit Interaction In The Opticalsupporting
confidence: 65%
“…This is owing to optical transitions from semicore states of atoms (5d states of bismuth and 4d states of tellurium and iodine) to unoccupied states. A similar effect of the influence of semicore electrons was also observed for lead [30]. Photons with the energy corresponding to the energy of σ plasmons and higher than the energy of σ + π plasmons can pass freely through the sample.…”
Section: Role Of Anisotropy and Spin-orbit Interaction In The Opticalsupporting
confidence: 65%
“…A reason for that is a possible impact of the Zr semicore 4s electronic states located at about 27 eV below the Fermi level [47], which were not included in the present calculations. We expect that inclusion of these semicore states would shift down the calculated plasmon energy value like it was found in the case of lead [94]. However, a downward shift of the plasmon peak energy in Zr caused by the interband transitions involving these semicore states should not be as significant as in the case of Pb and to be limited to few tenths of eV.…”
Section: Loss Functionmentioning
confidence: 69%
“…[34][35][36][37] From theoretical calculations, the spin-orbit effect is also predicted to have a great influence on the plasmons of Pb, e.g., resulting in anisotropy of the plasmons or generating new excitation modes. [38,39] Previous HREELS experiment [40] of Pb(111) films grown on Si(111) focused on a plasmon mode around 2 eV (q → 0), which was assigned to be a surface plasmon. While there was a huge disagreement with the theoretical calculations, where the mode around 2 eV was proved to be a bulk mode related to the spin-orbit coupling of Pb.…”
Section: Resultsmentioning
confidence: 99%