Einstein Modes in the Phonon Density of States of the Single-filled Skutterudite Yb0.2Co4Sb12
Measurements of the phonon density of states by inelastic neutron time-of-flight scattering and specific-heat measurements along with first-principles calculations, provide compelling evidence for the existence of an Einstein oscillator (rattler) at {omega}{sub E1} {approx} 5.0 meV in the filled skutterudite Yb{sub 0.2}Co{sub 4}Sb{sub 12}. Multiple dispersionless modes in the measured density of states of Yb{sub 0.2}Co{sub 4}Sb{sub 12} at intermediate transfer energies (14 {le} {omega} {le} 20 meV) are exhibited in both the experimental and theoretical density of states of the Yb-filled specimen. A peak at 12.4 meV is shown to coincide with a second Einstein mode at {omega}{sub E2} {approx} 12.8 meV obtained from heat-capacity data. The local modes at intermediate transfer energies are attributed to altered properties of the host CoSb{sub 3} cage as a result of Yb filling. It is suggested that these modes are owed to a complementary mechanism for the scattering of heat-carrying phonons in addition to the mode observed at {omega}{sub E1} {approx} 5.0 meV. Our observations offer a plausible explanation for the significantly higher dimensionless figures of merit of filled skutterudites, compared to their parent compounds.
- Research Organization:
- Brookhaven National Lab. (BNL), Upton, NY (United States)
- Sponsoring Organization:
- DOE - OFFICE OF SCIENCE
- DOE Contract Number:
- DE-AC02-98CH10886
- OSTI ID:
- 1019442
- Report Number(s):
- BNL-94577-2011-JA; R&D Project: MA-012-MABA; KC0201030; TRN: US1103611
- Journal Information:
- Physical Review. B, Condensed Matter and Materials Physics, Vol. 82, Issue 17; ISSN 1098-0121
- Country of Publication:
- United States
- Language:
- English
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