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@ARTICLE{Beekman:10938,
author = {Beekman, M. and Hermann, R. and Möchel, A. and Juranyi, F.
and Nolas, G. S.},
title = {{A} study of low-energy guest phonon modes in
clathrate-{II} {N}ax{S}i136 (x = 3, 23, and 24)},
journal = {Journal of physics / Condensed matter},
volume = {22},
issn = {0953-8984},
address = {Bristol},
publisher = {IOP Publ.},
reportid = {PreJuSER-10938},
pages = {355401},
year = {2010},
note = {MB and GSN acknowledge support from US DOE Grant No.
DE-FG02-04ER46145 for crystal growth and specimen
preparation, as well as characterization and data analysis.
MB acknowledges support from the University of South Florida
Presidential Doctoral Fellowship. This work is based on
experiments performed at the Swiss spallation neutron source
SINQ, Paul Scherrer Institute, Villigen, Switzerland. The
FRM-2 is acknowledged for provision of the neutron beamtime
on PGAA, and Ms Lea Canella is acknowledged for assistance
during the data acquisition. The authors kindly thank
Kenneth I. Hardcastle of Emory University and Angus P
Wilkinson of Georgia Institute of Technology for
single-crystal x-ray diffraction data collection.
Single-crystal structure refinements were carried out with
the aid of the SHELX [30] and WinGX [31] software. Rietveld
refinements were carried out with the aid of the GSAS [32]
and EXPGUI software [33]. Figure 1 was drawn using the VESTA
software [34].},
abstract = {Single-crystal x-ray diffraction from clathrate-II NaxSi136
(x = 24) prepared by a new technique reveals the
exceptionally large Na@Si-28 atomic displacement parameter
(U-eq) is strongly temperature dependent, and can be
attributed to low-energy rattling modes associated with the
Na guest. Inelastic neutron scattering (INS) spectra
collected from NaxSi136 powder specimens (x = 3, 23) confirm
the presence of low-energy guest-derived phonon modes for
Na@Si-28 and Na@Si-20. The lower energy Na@Si-28 rattler
mode falls in the frequency range of the silicon host
acoustic phonons, indicating the possibility for interaction
with these phonons. The presence of these low-energy modes
combined with the ability to controllably vary the guest
content presents a unique opportunity for exploring the
influence of guest-framework interactions on the lattice
dynamics in intermetallic clathrates.},
keywords = {J (WoSType)},
cin = {IFF-4 / IFF-5 / JARA-FIT / Jülich Centre for Neutron
Science JCNS (JCNS) ; JCNS},
ddc = {530},
cid = {I:(DE-Juel1)VDB784 / I:(DE-Juel1)VDB785 /
$I:(DE-82)080009_20140620$ / I:(DE-Juel1)JCNS-20121112},
pnm = {BioSoft: Makromolekulare Systeme und biologische
Informationsverarbeitung / Großgeräte für die Forschung
mit Photonen, Neutronen und Ionen (PNI)},
pid = {G:(DE-Juel1)FUEK505 / G:(DE-Juel1)FUEK415},
shelfmark = {Physics, Condensed Matter},
typ = {PUB:(DE-HGF)16},
UT = {WOS:000281422100014},
doi = {10.1088/0953-8984/22/35/35401},
url = {https://juser.fz-juelich.de/record/10938},
}