References of "Schober, H"
     in
Bookmark and Share    
Full Text
Peer Reviewed
See detailLattice dynamics in the thermoelectric Zintl compound Yb14MnSb11
Möchel, A.; Sergueev, I.; Wille, H.-C. et al

in Physical Review (2011), 84(18),

The density of phonon states in the thermoelectric material Yb14MnSb11 has been studied first by inelastic neutron scattering and second in an element-specific way by nuclear inelastic x-ray scattering ... [more ▼]

The density of phonon states in the thermoelectric material Yb14MnSb11 has been studied first by inelastic neutron scattering and second in an element-specific way by nuclear inelastic x-ray scattering. The low sound velocity of 1880(50) m/s as obtained from the density of phonon states can be identified as an important reason for the low heat transport in this system. The high melting temperature of Yb14MnSb11 contrasts with the low energy of all phonons (<25 meV) and relates to an unusual lack of softening of phonon modes with temperature, when comparing the phonon density of states observed at ambient temperatures and at 1200 K. We have also measured the density of phonon states of the related Eu14MnSb11 compound and of the thermoelectric Zintl phase Zn4Sb3 in order to compare with related thermodynamic properties of Yb14MnSb11 and to elucidate the different mechanisms of the heat conductivity reduction in Zintl phases. [less ▲]

Detailed reference viewed: 20 (0 ULg)
Full Text
Peer Reviewed
See detailStructural and vibrational study of the negative thermal expansion in liquid As2Te3
Otjacques, C.; Raty, Jean-Yves ULg; Hippert, F. et al

in Physical Review. B, Condensed Matter and Materials Physics (2010), 82(5), 0542029-05420290542029

We present an experimental and theoretical study of liquid As 2Te 3. This alloy exhibits a negative thermal expansion (NTE) in a 250 K range above the melting temperature T m = 654 K. We evidence the ... [more ▼]

We present an experimental and theoretical study of liquid As 2Te 3. This alloy exhibits a negative thermal expansion (NTE) in a 250 K range above the melting temperature T m = 654 K. We evidence the changes in As 2Te 3 structure by measuring neutron-diffraction spectra at five temperatures in the NTE range and perform first principles molecular dynamics simulations at the same temperatures and densities to study the local order evolution in the liquid. Our calculated structures show an increase in the coordination numbers and a symmetrization of the first neighbors shell around atoms when the temperature rises. To confirm these results, we performed inelastic neutron scattering to obtain the vibrational density of state (VDOS) along the NTE. We see a clear change in the VDOS, consisting in a redshift of the highest frequencies with temperature. Finally, electrical conductivity evolution was obtained from the simulated structures, to compare with the semiconductor to metal transition measured experimentally. [less ▲]

Detailed reference viewed: 27 (6 ULg)
Full Text
Peer Reviewed
See detailDynamics of the negative thermal expansion in tellurium based liquid alloys
Otjacques, C.; Raty, Jean-Yves ULg; Coulet, M-V et al

in Physical Review Letters (2009), 103(24), 2459014-24590142459014

Negative thermal expansion (NTE) in tellurium based liquid alloys (GeTe 6 and GeTe 12) is analyzed through the atomic vibrational properties. Using neutron inelastic scattering, we show that the ... [more ▼]

Negative thermal expansion (NTE) in tellurium based liquid alloys (GeTe 6 and GeTe 12) is analyzed through the atomic vibrational properties. Using neutron inelastic scattering, we show that the structural evolution resulting in the NTE is due to a gain of vibrational entropy that cancels out the Peierls distortion. In the NTE temperature range, these competing effects give rise to noticeable changes in the vibrational density of states spectra. Additional first principles molecular dynamics simulations emphasize the role of the temperature dependance of the Ge atomic environment in this mechanism. For comparison, we extended our study to Ge 2Sb 2Te 5 and Ge 1Sb 2Te 4 phase-change materials. [less ▲]

Detailed reference viewed: 29 (1 ULg)