Abstract
We report a method based on density functional theory molecular dynamics that allows us to calculate the plasmonic properties of liquid metals and metal alloys from first principles with no a priori knowledge of the system. We show exceptional agreement between the simulated and measured optical constants of liquid Ga and the room temperature liquid In-Ga eutectic alloy (T m = 289 K). We then use this method to analyze the plasmonic properties of various alloy concentrations in the In-Ga system. The plasmonic performance of the In-Ga system decreases with increasing In concentration. However, the benefits of a room-temperature plasmonic liquid are likely to outweigh the minor reduction in plasmonic performance when moving from pure Ga to the eutectic composition. Our results show that density functional theory molecular dynamics can be used as a predictive tool for studying the optical properties of liquid metal systems amenable to plasmonics.
| Original language | English |
|---|---|
| Pages (from-to) | 5275-5280 |
| Number of pages | 6 |
| Journal | Nano Letters |
| Volume | 12 |
| Issue number | 10 |
| DOIs | |
| Publication status | Published - Oct 10 2012 |
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Keywords
- density functional theory
- gratings
- liquid metals
- molecular dynamics
- simulated optical properties
- Surface plasmon polaritons
ASJC Scopus subject areas
- Condensed Matter Physics
- Bioengineering
- Chemistry(all)
- Materials Science(all)
- Mechanical Engineering
Cite this
Eutectic liquid alloys for plasmonics : Theory and experiment. / Blaber, Martin G.; Engel, Clifford J.; Vivekchand, S. R C; Lubin, Steven M.; Odom, Teri W; Schatz, George C.
In: Nano Letters, Vol. 12, No. 10, 10.10.2012, p. 5275-5280.Research output: Contribution to journal › Article
}
TY - JOUR
T1 - Eutectic liquid alloys for plasmonics
T2 - Theory and experiment
AU - Blaber, Martin G.
AU - Engel, Clifford J.
AU - Vivekchand, S. R C
AU - Lubin, Steven M.
AU - Odom, Teri W
AU - Schatz, George C
PY - 2012/10/10
Y1 - 2012/10/10
N2 - We report a method based on density functional theory molecular dynamics that allows us to calculate the plasmonic properties of liquid metals and metal alloys from first principles with no a priori knowledge of the system. We show exceptional agreement between the simulated and measured optical constants of liquid Ga and the room temperature liquid In-Ga eutectic alloy (T m = 289 K). We then use this method to analyze the plasmonic properties of various alloy concentrations in the In-Ga system. The plasmonic performance of the In-Ga system decreases with increasing In concentration. However, the benefits of a room-temperature plasmonic liquid are likely to outweigh the minor reduction in plasmonic performance when moving from pure Ga to the eutectic composition. Our results show that density functional theory molecular dynamics can be used as a predictive tool for studying the optical properties of liquid metal systems amenable to plasmonics.
AB - We report a method based on density functional theory molecular dynamics that allows us to calculate the plasmonic properties of liquid metals and metal alloys from first principles with no a priori knowledge of the system. We show exceptional agreement between the simulated and measured optical constants of liquid Ga and the room temperature liquid In-Ga eutectic alloy (T m = 289 K). We then use this method to analyze the plasmonic properties of various alloy concentrations in the In-Ga system. The plasmonic performance of the In-Ga system decreases with increasing In concentration. However, the benefits of a room-temperature plasmonic liquid are likely to outweigh the minor reduction in plasmonic performance when moving from pure Ga to the eutectic composition. Our results show that density functional theory molecular dynamics can be used as a predictive tool for studying the optical properties of liquid metal systems amenable to plasmonics.
KW - density functional theory
KW - gratings
KW - liquid metals
KW - molecular dynamics
KW - simulated optical properties
KW - Surface plasmon polaritons
UR - http://www.scopus.com/inward/record.url?scp=84867468502&partnerID=8YFLogxK
UR - http://www.scopus.com/inward/citedby.url?scp=84867468502&partnerID=8YFLogxK
U2 - 10.1021/nl3025104
DO - 10.1021/nl3025104
M3 - Article
VL - 12
SP - 5275
EP - 5280
JO - Nano Letters
JF - Nano Letters
SN - 1530-6984
IS - 10
ER -