References of "Hermann, Raphaël"
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See detailEvolution of phase segregation and eutectic structures in AgPb 18SbTe20
Dadda, J.; Müller, E.; Perlt, S. et al

in Physica Status Solidi A. Applications and Materials Science (2014), 211(6), 1276-1281

The evolution of phase segregation in stoichiometric quenched AgPb mSbTe2+m (m = 18, Lead-Antimony-Silver-Tellurium - LAST-18) compounds was studied starting from the known pseudo-binary diagrams among ... [more ▼]

The evolution of phase segregation in stoichiometric quenched AgPb mSbTe2+m (m = 18, Lead-Antimony-Silver-Tellurium - LAST-18) compounds was studied starting from the known pseudo-binary diagrams among Ag2Te, PbTe, Sb2Te3 and AgSbTe 2. The compositions of secondary phases indicate that liquid phase during cooling, even under quenching conditions, follows mainly the liquidus line on the 2PbTe-Ag0.45Sb0.55Te1.05 quasi-binary section of the phase diagram until it reaches a critical point (18 mol.% of 2PbTe) and then turns to Ag2Te- and Sb2Te 3-rich sides of quasi-ternary system. This has led to the formation of various secondary phases at various stages during the solidification, whose microstructural features and morphology strongly depend upon their chemical composition. Moreover, during solidification the local compositional fluctuations of liquid phase in combination with the shift of liquid composition towards Sb-rich side of the phase diagram resulted in the development of eutectic microstructures in some regions of LAST-18 matrix phase. This suggests there exists a miscibility gap and eutectic point below 600 C on the 2PbTe-Ag0.45Sb0.55Te1.05 boundary line. These eutectic lamellar structures with a cumulative composition close to LAST-3 are on the 200-500 nm length scales and possess thermal conductivity of 0.55-0.65 W/m K at room temperature. The low thermal conductivity of lamellar eutectic structures was later confirmed on bulk samples using laser flash analysis, where the samples were synthesized by quenching and annealing. The results clearly demonstrate that one can engineer the microstructures in LAST compounds by selecting the appropriate initial composition from quasi PbTe-Ag 2Te-Sb2Te3 ternary phase diagram to lower the thermal conductivity further. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim. [less ▲]

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See detailNuclear probes for battery materials investigations: Mössbauer spectroscopy, nuclear scattering, and neutron scattering
Hermann, Raphaël ULiege; Mahmoud, A.; Brisbois, Magali ULiege et al

in Proceedings of 2014 International Renewable and Sustainable Energy Conference, IRSEC 2014 (2014)

Selected examples of application of Mössbauer spectroscopy, nuclear resonance scattering of synchrotron radiation, and neutron scattering to battery and related materials research are presented. The ... [more ▼]

Selected examples of application of Mössbauer spectroscopy, nuclear resonance scattering of synchrotron radiation, and neutron scattering to battery and related materials research are presented. The charms of Mössbauer spectroscopy as a technique for screening materials, for detailed structure investigations, and for in situ measurements are illustrated. New developments of nuclear resonance scattering for isotopes with 30-90 keV resonant energy are presented. Structural, diffusive and dynamic studies utilizing neutron scattering are exemplified. © 2014 IEEE. [less ▲]

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See detailEnhanced Debye level in nano Zn1+xSb, FeSb2, and NiSb: Nuclear inelastic spectroscopy on121 Sb
Claudio, T.; Bessas, D.; Birke, C. S. et al

in Physica Status Solidi B. Basic Research (2014), 251(5), 919-923

The121 Sb partial density of phonon states (DPS) in nanopowder antimonides were obtained with nuclear inelastic scattering on Zn1+xSb, FeSb2, and NiSb prepared by a wet chemistry route. The DPS is ... [more ▼]

The121 Sb partial density of phonon states (DPS) in nanopowder antimonides were obtained with nuclear inelastic scattering on Zn1+xSb, FeSb2, and NiSb prepared by a wet chemistry route. The DPS is compared with the bulk counterpart. An increase of the Debye level indicative of a decrease of the isothermal speed of sound is systematically observed. This observation reveals that the decrease in speed of sound observed in nanostructured thermoelectric materials is not restricted to sintered nanocomposites. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim. [less ▲]

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See detailThermal transport in nanoscale semiconductors
Nielsch, K.; Schierning, G.; Hermann, Raphaël ULiege et al

in Semiconductor Science and Technology (2014), 29(12),

[No abstract available]

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See detailNanocrystalline silicon: Lattice dynamics and enhanced thermoelectric properties
Claudio, T.; Stein, N.; Stroppa, D. G. et al

in Physical Chemistry Chemical Physics (2014), 16(47), 25701-25709

Silicon has several advantages when compared to other thermoelectric materials, but until recently it was not used for thermoelectric applications due to its high thermal conductivity, 156 W K-1 m-1 at ... [more ▼]

Silicon has several advantages when compared to other thermoelectric materials, but until recently it was not used for thermoelectric applications due to its high thermal conductivity, 156 W K-1 m-1 at room temperature. Nanostructuration as means to decrease thermal transport through enhanced phonon scattering has been a subject of many studies. In this work we have evaluated the effects of nanostructuration on the lattice dynamics of bulk nanocrystalline doped silicon. The samples were prepared by gas phase synthesis, followed by current and pressure assisted sintering. The heat capacity, density of phonons states, and elastic constants were measured, which all reveal a significant, ≈25%, reduction in the speed of sound. The samples present a significantly decreased lattice thermal conductivity, ≈25 W K-1 m-1, which, combined with a very high carrier mobility, results in a dimensionless figure of merit with a competitive value that peaks at ZT ≈ 0.57 at 973°C. Due to its easily scalable and extremely low-cost production process, nanocrystalline Si prepared by gas phase synthesis followed by sintering could become the material of choice for high temperature thermoelectric generators. © the Owner Societies 2014. [less ▲]

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See detail121Sb and125Te nuclear inelastic scattering in Sb2Te3under high pressure
Simon, R. E.; Sergueev, I.; Kantor, I. et al

in Semiconductor Science and Technology (2014), 29(12),

We investigated the lattice dynamics of Sb2Te3 under high pressure using 121Sb and 125Te nuclear inelastic scattering of synchrotron radiation. We measured the room temperature 121Sb and 125Te inelastic ... [more ▼]

We investigated the lattice dynamics of Sb2Te3 under high pressure using 121Sb and 125Te nuclear inelastic scattering of synchrotron radiation. We measured the room temperature 121Sb and 125Te inelastic spectra at 15(1) GPa and 77(3) GPa and extracted the Te and Sb element specific density of phonon states of δ-Sb2Te3 at 77(3) GPa. X-ray diffraction confirms the sample to be in the cubic δ-Sb2Te3 phase with space group Im3m and lattice constant a = 3.268(4) A˚. The total density of phonon states of δ-Sb2Te3 strongly resembles the one of amorphous GeSb2Te4, suggesting the presence of covalent bonding in contrast to the resonance bonding in α-Sb2Te3. From the density of phonon states of δ-Sb2Te3 a mean speed of sound of 2.61(6) km s-1 and Debye temperatures of 278(10) K for Te and 296(10) K for Sb were determined. © 2014 IOP Publishing Ltd. [less ▲]

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See detailNuclear forward scattering of synchrotron radiation by Ru 99
Bessas, D.; Merkel, D. G.; Chumakov, A. I. et al

in Physical Review Letters (2014), 113(14),

We measured nuclear forward scattering spectra utilizing the Ru99 transition, 89.571(3) keV, with a notably mixed E2/M1 multipolarity. The extension of the standard evaluation routines to include mixed ... [more ▼]

We measured nuclear forward scattering spectra utilizing the Ru99 transition, 89.571(3) keV, with a notably mixed E2/M1 multipolarity. The extension of the standard evaluation routines to include mixed multipolarity allows us to extract electric and magnetic hyperfine interactions from Ru99-containing compounds. This paves the way for several other high-energy Mössbauer transitions, E∼90keV. The high energy of such transitions allows for operando nuclear forward scattering studies in real devices. © 2014 American Physical Society. [less ▲]

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See detailMagnetism and lattice dynamics of FeNCN compared to FeO
Herlitschke, M.; Tchougréeff, A. L.; Soudackov, A. V. et al

in New Journal of Chemistry (2014), 38(10), 4670-4677

Three-dimensional non-oxidic extended frameworks offer the possibility to design novel materials with unique properties, which can be different from their oxide analogues. Here, we present first ... [more ▼]

Three-dimensional non-oxidic extended frameworks offer the possibility to design novel materials with unique properties, which can be different from their oxide analogues. Here, we present first experimental results concerning unusual magnetic properties of FeNCN, investigated using Mössbauer spectroscopy and magnetometry between 5 and 380 K. This study reveals an unconventional behaviour of the magnetic parameters below the Néel temperature of 350 K, i.e., the hyperfine field on iron decreases with decreasing temperature. At room temperature, quadrupole and hyperfine magnetic field interaction energies are comparable in magnitude, which leads to a rare five-line absorption spectrum. We suggest that these features in the hyperfine field are caused by the combination of a small Fermi contact term and a temperature-dependent contribution from the orbital momentum and the dipole term. One additional spectral component is observed, which exhibits a magnetic relaxation behaviour and slows down at low temperatures to yield a sextet. The magnetometry data suggest that the antiferromagnetic FeNCN is rich in structural distortions, which results in a splitting of the field-cooled and zero-field-cooled curves. The lattice dynamics of FeNCN were investigated using nuclear inelastic scattering. The comparison of the obtained data with literature data of iron monoxide reveals very similar iron phonon modes with a small softening and a slightly reduced sound velocity. This journal is © the Partner Organisations 2014. [less ▲]

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See detailRole of disorder in the thermodynamics and atomic dynamics of glasses
Chumakov, A. I.; Monaco, G.; Fontana, A. et al

in Physical Review Letters (2014), 112(2),

We measured the density of vibrational states (DOS) and the specific heat of various glassy and crystalline polymorphs of SiO2. The typical (ambient) glass shows a well-known excess of specific heat ... [more ▼]

We measured the density of vibrational states (DOS) and the specific heat of various glassy and crystalline polymorphs of SiO2. The typical (ambient) glass shows a well-known excess of specific heat relative to the typical crystal (α-quartz). This, however, holds when comparing a lower-density glass to a higher-density crystal. For glassy and crystalline polymorphs with matched densities, the DOS of the glass appears as the smoothed counterpart of the DOS of the corresponding crystal; it reveals the same number of the excess states relative to the Debye model, the same number of all states in the low-energy region, and it provides the same specific heat. This shows that glasses have higher specific heat than crystals not due to disorder, but because the typical glass has lower density than the typical crystal. © 2014 American Physical Society. [less ▲]

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See detailQuadrupole splitting and isomer shifts in Te oxides investigated using nuclear forward scattering
Klobes, B.; Barrier, N.; Vertruyen, Bénédicte ULiege et al

in Hyperfine Interactions (2014), 226(1-3), 713-719

Nuclear forward scattering by 125Te is a viable alternative to conventional 125Te Mössbauer spectroscopy avoiding all source related issues. Using reference compounds with known hyperfine parameters and ... [more ▼]

Nuclear forward scattering by 125Te is a viable alternative to conventional 125Te Mössbauer spectroscopy avoiding all source related issues. Using reference compounds with known hyperfine parameters and Te oxides exhibiting stereochemically active lone pairs, we show that nuclear forward scattering by 125Te can be reliably used to extract quadrupole splitting energy and relative isomer shift. The rough correlation between Te-Ocoordination and quadrupole splitting energy as put forward by Takeda and Greenwood (J. Chem. Soc. Dalton, 2207, 1975), is corroborated by the presented results. © 2014 Springer Science+Business Media Dordrecht. [less ▲]

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See detailComparison of functionalized carbon nanofibers and multi-walled carbon nanotubes as supports for Fe-Co nanoparticles
Vidick, Deborah; Herlitschke, Marcus; Poleunis, Claude et al

in Journal of Materials Chemistry A (2013), 1(6), 2050-2063

Multi-walled carbon nanotubes (MWCNT) and nanofibers (CNF) have been functionalized at their surfaces with chelating phosphine (PPh2) and ammonium (NMe3+) groups, as anchoring sites for metal complexes ... [more ▼]

Multi-walled carbon nanotubes (MWCNT) and nanofibers (CNF) have been functionalized at their surfaces with chelating phosphine (PPh2) and ammonium (NMe3+) groups, as anchoring sites for metal complexes. The surface functionalization has been monitored by XPS, elemental analyses, N-2 physisorption and/or SEM surface morphology analysis at each step. Bimetallic Fe-Co nanoparticles from two different starting cluster complexes, [HFeCo3(CO)(12)] (1) and (NEt4)[FeCo3(CO)(12)] (2), have been deposited onto the surfaces of the functionalized MWCNT and CNF as well as their pristine forms for comparison. The samples have been fully characterized before and after thermal treatment. The obtained nanoparticles were shown by TEM to be better dispersed and of smaller size on functionalized than on pristine supports. Magnetic characterization revealed blocked superparamagnetic Fe-Co nanoparticles together with paramagnetic ions on CNF as well as MWCNT. [less ▲]

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See detailLattice dynamics and structure of GeTe, SnTe and PbTe
Pereira, Paula Bauer; Sergueev, Ilya; Gorsse, Stephane et al

in PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS (2013), 250(7), 1300-1307

The lattice dynamics in the IV-VI compounds GeTe, SnTe and PbTe were studied by Te-125 and Sn-119 nuclear inelastic scattering and the obtained partial density of phonon states were compared with ... [more ▼]

The lattice dynamics in the IV-VI compounds GeTe, SnTe and PbTe were studied by Te-125 and Sn-119 nuclear inelastic scattering and the obtained partial density of phonon states were compared with published theoretical calculations. The phase purity and structure were characterized by high energy X-ray diffraction. The effect of the atomic arrangement, rhombohedral for GeTe and cubic for SnTe and PbTe, is visible in the density of phonon states. Vibrational properties are found to be in good agreement with available calculated data and the softer character of the NaCl-type structures in comparison with the rhombohedral GeTe is confirmed. (C) 2012 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim [less ▲]

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See detailPhonon spectroscopy in a Bi2Te3 nanowire array
Bessas, Dimitrios; Toellner, William; Aabdin, Zainul et al

in NANOSCALE (2013), 5(21), 10629-10635

The lattice dynamics in an array of 56 nm diameter Bi2Te3 nanowires embedded in a self-ordered amorphous alumina membrane were investigated microscopically using Te-125 nuclear inelastic scattering. The ... [more ▼]

The lattice dynamics in an array of 56 nm diameter Bi2Te3 nanowires embedded in a self-ordered amorphous alumina membrane were investigated microscopically using Te-125 nuclear inelastic scattering. The element specific density of phonon states is measured on nanowires in two perpendicular orientations and the speed of sound is extracted. Combined high energy synchrotron radiation diffraction and transmission electron microscopy was carried out on the same sample and the crystallinity was investigated. The nanowires grow almost perpendicular to the c-axis, partly with twinning. The average speed of sound in the 56 nm diameter Bi2Te3 nanowires is similar to 7% smaller with respect to bulk Bi2Te3 and a decrease in the macroscopic lattice thermal conductivity by similar to 13% due to nanostructuration and to the reduced speed of sound is predicted. [less ▲]

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See detailLattice instabilities in bulk EuTiO3
Bessas, D.; Rushchanskii, K. Z.; Kachlik, M. et al

in PHYSICAL REVIEW B (2013), 88(14),

The phase purity and the lattice dynamics in bulk EuTiO3 were investigated both microscopically, using x-ray and neutron diffraction, Eu-151-Mossbauer spectroscopy, and Eu-151 nuclear inelastic scattering ... [more ▼]

The phase purity and the lattice dynamics in bulk EuTiO3 were investigated both microscopically, using x-ray and neutron diffraction, Eu-151-Mossbauer spectroscopy, and Eu-151 nuclear inelastic scattering, and macroscopically using calorimetry, resonant ultrasound spectroscopy, and magnetometry. Furthermore, our investigations were corroborated by ab initio theoretical studies. The perovskite symmetry, Pm (3) over barm, is unstable at the M- and R-points of the Brillouin zone. The lattice instabilities are lifted when the structure relaxes in one of the symmetries: I4/mcm, Imma, R (3) over barc with relative relaxation energy around -25 meV. Intimate phase analysis confirmed phase purity of our ceramics. A prominent peak in the Eu specific density of phonon states at 11.5 meV can be modeled in all candidate symmetries. A stiffening on heating around room temperature is indicative of a phase transition similar to the one observed in SrTiO3, however, although previous studies reported the structural phase transition to the tetragonal I4/mcm phase our detailed sample purity analysis and thorough structural studies using complementary techniques did not confirm a direct phase transition. Instead, in the same temperature range, Eu delocalization is observed which might explain the lattice dynamical instabilities. [less ▲]

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See detailStructural diversity in iron oxide nanoparticle assemblies as directed by particle morphology and orientation
Disch, Sabrina; Wetterskog, Erik; Hermann, Raphael ULiege et al

in NANOSCALE (2013), 5(9), 3969-3975

The mesostructure of ordered arrays of anisotropic nanoparticles is controlled by a combination of packing constraints and interparticle interactions, two factors that are strongly dependent on the ... [more ▼]

The mesostructure of ordered arrays of anisotropic nanoparticles is controlled by a combination of packing constraints and interparticle interactions, two factors that are strongly dependent on the particle morphology. We have investigated how the degree of truncation of iron oxide nanocubes controls the mesostructure and particle orientation in drop cast mesocrystal arrays. The combination of grazing incidence small-angle X-ray scattering and scanning electron microscopy shows that mesocrystals of highly truncated cubic nanoparticles assemble in an fcc-type mesostructure, similar to arrays formed by iron oxide nanospheres, but with a significantly reduced packing density and displaying two different growth orientations. Strong satellite reflections in the GISAXS pattern indicate a commensurate mesoscopic superstructure that is related to stacking faults in mesocrystals of the anisotropic nanocubes. Our results show how subtle variation in shape anisotropy can induce oriented arrangements of nanoparticles of different structures and also create mesoscopic superstructures of larger periodicity. [less ▲]

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See detailEffects of impurities on the lattice dynamics of nanocrystalline silicon for thermoelectric application
Claudio, Tania; Schierning, Gabi; Theissmann, Ralf et al

in JOURNAL OF MATERIALS SCIENCE (2013), 48(7), 2836-2845

Doped silicon nanoparticles were exposed to air and sintered to form nanocrystalline silicon. The composition, microstructure, and structural defects were investigated with TEM, XRD, and PDF and the ... [more ▼]

Doped silicon nanoparticles were exposed to air and sintered to form nanocrystalline silicon. The composition, microstructure, and structural defects were investigated with TEM, XRD, and PDF and the lattice dynamics was evaluated with measurements of the heat capacity, of the elastic constants with resonant ultrasound spectroscopy and of the density of phonon states (DPS) with inelastic neutron scattering. The results were combined and reveal that the samples contain a large amount of silicon dioxide and exhibit properties that deviate from bulk silicon. Both in the reduced DPS and in the heat capacity a Boson peak at low energies, characteristic of amorphous SiO2, is observed. The thermal conductivity is strongly reduced due to nanostructuration and the incorporation of impurities. [less ▲]

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See detailEffect of pressure, temperature, fluorine doping, and rare earth elements on the phonon density of states of LFeAsO studied by nuclear inelastic scattering
Sergueev, I.; Hermann, Raphael ULiege; Bessas, D. et al

in PHYSICAL REVIEW B (2013), 87(6), 064302-9

We have performed systematic studies of the lattice dynamics in LFeAsO (L = La, Ce, Pr, Nd, Sm) in the parent and in the similar to 10% F-doped compounds as a function of pressure and temperature. We have ... [more ▼]

We have performed systematic studies of the lattice dynamics in LFeAsO (L = La, Ce, Pr, Nd, Sm) in the parent and in the similar to 10% F-doped compounds as a function of pressure and temperature. We have found that the modifications in the partial Fe density of phonon states are mainly governed by the Fe-As bond length. The change of this bond length explains the change of the Fe density of phonon states above 25 meV. We further observe anomalies in the behavior of the phonon mode near 16 meV. In the parent phase, this mode softens anomalously upon cooling through the structural phase transition. Upon F doping, this mode hardens indicating a strong electron-phonon coupling. This suggests that the corresponding phonons play an important role in the competition between superconductivity and magnetism in these materials. DOI: 10.1103/PhysRevB.87.064302 [less ▲]

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See detail2D to 3D crossover of the magnetic properties in ordered arrays of iron oxide nanocrystals
Faure, Bertrand; Wetterskog, Erik; Gunnarsson, Klas et al

in NANOSCALE (2013), 5(3), 953-960

The magnetic 2D to 3D crossover behavior of well-ordered arrays of monodomain gamma-Fe2O3 spherical nanoparticles with different thicknesses has been investigated by magnetometry and Monte Carlo (MC ... [more ▼]

The magnetic 2D to 3D crossover behavior of well-ordered arrays of monodomain gamma-Fe2O3 spherical nanoparticles with different thicknesses has been investigated by magnetometry and Monte Carlo (MC) simulations. Using the structural information of the arrays obtained from grazing incidence small-angle X-ray scattering and scanning electron microscopy together with the experimentally determined values for the saturation magnetization and magnetic anisotropy of the nanoparticles, we show that MC simulations can reproduce the thickness-dependent magnetic behavior. The magnetic dipolar particle interactions induce a ferromagnetic coupling that increases in strength with decreasing thickness of the array. The 2D to 3D transition in the magnetic properties is mainly driven by a change in the orientation of the magnetic vortex states with increasing thickness, becoming more isotropic as the thickness of the array increases. Magnetic anisotropy prevents long-range ferromagnetic order from being established at low temperature and the nanoparticle magnetic moments instead freeze along directions defined by the distribution of easy magnetization directions. [less ▲]

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See detailNuclear forward scattering by the 68.7 keV state of 73Ge in CaGeO3 and GeO2
Simon, RE; Sergueev, I; Persson, J et al

in Europhysics Letters [=EPL] (2013), 104

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See detailXe-129 nuclear resonance scattering on solid Xe and Xe-129 clathrate hydrate
Klobes, B.; Desmedt, A.; Sergueev, I. et al

in Europhysics Letters [=EPL] (2013), 103(3), 36001-6

Nuclear inelastic and nuclear forward-scattering experiments utilizing the Xe-129 Mossbauer resonance were performed on solid Xe and enriched Xe-129 clathrate hydrate. The lifetime and energy of the ... [more ▼]

Nuclear inelastic and nuclear forward-scattering experiments utilizing the Xe-129 Mossbauer resonance were performed on solid Xe and enriched Xe-129 clathrate hydrate. The lifetime and energy of the nuclear resonance were determined to be 1.465(72) ns and 39581.30(4) eV, respectively. Nuclear inelastic scattering spectra could be obtained with an instrumental resolution of 0.93(4) meV. Despite low Lamb-Mossbauer factors, Xe specific densities of phonon states were derived for solid Xe and Xe clathrate hydrate. Their reliability was investigated using 1-phonon terms obtained by fixing Lamb-Mossbauer factor values within the applied Fourier-Log decomposition. ABINIT calculations of the density of phonon states in solid Xe supplement the interpretation of the experimental data for fcc Xe and good agreement with published densities of phonon states could be achieved below 4meV. Results for the Xe clathrate hydrate essentially confirm the rattling nature of the Xe guests and indicate that Xe modes do not contribute to lattice dynamics above 6 meV. Copyright (C) EPLA, 2013 [less ▲]

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