Supplementary Material
Atomic-Scale Observation of Dynamical Fluctuation
and Three-Dimensional Structure of Gold Clusters
JunjieLi,1,2,a) Deqiang Yin,3,a) Chunlin Chen,2 Qiang Li,4 Liyang Lin,2 Rong Sun,5 Sumei
Huang,1,b) and Zhongchang Wang2,c)
1
Engineering Research Center for Nanophotonics and Advanced Instrument, Ministry of
Education, Department of Physics, East China Normal University, North Zhongshan Road
3663, Shanghai 200062, China
2
Advanced Institute for Materials Research, Tohoku University, 2-1-1 Katahira, Aoba-ku,
Sendai 980-8577, Japan
3
School of Manufacturing Science and Engineering, Sichuan University, Chengdu 610064,
China
4
School of Materials Science and Engineering, University of Shanghai for Science and
Technology, Shanghai 200093, China
5
Institute of Engineering Innovation, The University of Tokyo, 2-11-16, Yayoi, Bunkyo-ku,
Tokyo 113-8656, Japan
1
(a)
(b)
(c)
(d)
(e)
(f)
FIG. S1 Starting models for the clusters. (a) and (b) The starting atomic models viewed from
different directions, which are used for Fig. 1(a). (c) and (d) The starting models viewed from
different directions, which are used for Fig. 1(e). (e) and (f) The starting models viewed from
different directions, which are used for Fig. 1(h).
2
(b)
(c)
(d)
d
(e)
(a)a
FIG. S2 Demonstration of a significant structural transformation by the structural relaxation.
(a) Top view of the cluster, which corresponds to experimental image shown in Fig. 1(h). (b)
and (d) Two slightly different starting models. (c) and (e) The corresponding relaxed
structures. The Au atoms with different heights along the z axes are highlighted in red in (b)
and (d).
3
DOS States/eV
2.0
s
p
d
1.5
1.0
0.5
0.0
-8
-6
-4
-2
0
2
4
Energy (eV)
FIG. S3 DOS plot for the single Au2 atom in the Au24 cluster. Refer to Fig. 3(a) for the
location of the Au2 atom.
4