TY - JOUR
T1 - Conventional and acoustic surface plasmons on noble metal surfaces: a time-dependent density functional theory study
AU - Yan, Jun
AU - Jacobsen, Karsten W.
AU - Thygesen, Kristian S.
N1 - ©2012 American Physical Society
PY - 2012
Y1 - 2012
N2 - First-principles calculations of the conventional and acoustic surface plasmons (CSPs and ASPs) on the (111) surfaces of Cu, Ag, and Au are presented. The effect of s-d interband transitions on both types of plasmons is investigated by comparing results from the local density approximation and an orbital-dependent exchange-correlation (xc) potential that improves the position and width of the d bands. The plasmon dispersions calculated with the latter xc potential agree well with electron energy loss spectroscopy (EELS) experiments. For both the CSP and ASP, the same trend of Cu <Au <Ag is found for the plasmon energies and is attributed to the reduced screening by interband transitions from Cu, to Au and Ag. This trend for the ASP, however, contradicts a previous model prediction. While the ASP is seen as a weak feature in the EELS, it can be clearly identified in the static and dynamic dielectric band structure.
AB - First-principles calculations of the conventional and acoustic surface plasmons (CSPs and ASPs) on the (111) surfaces of Cu, Ag, and Au are presented. The effect of s-d interband transitions on both types of plasmons is investigated by comparing results from the local density approximation and an orbital-dependent exchange-correlation (xc) potential that improves the position and width of the d bands. The plasmon dispersions calculated with the latter xc potential agree well with electron energy loss spectroscopy (EELS) experiments. For both the CSP and ASP, the same trend of Cu <Au <Ag is found for the plasmon energies and is attributed to the reduced screening by interband transitions from Cu, to Au and Ag. This trend for the ASP, however, contradicts a previous model prediction. While the ASP is seen as a weak feature in the EELS, it can be clearly identified in the static and dynamic dielectric band structure.
U2 - 10.1103/PhysRevB.86.241404
DO - 10.1103/PhysRevB.86.241404
M3 - Journal article
SN - 0163-1829
VL - 86
SP - 241404
JO - Physical Review B Condensed Matter
JF - Physical Review B Condensed Matter
IS - 24
ER -