Anomalous vibrational dynamics in the Mg2Zn11 phase

Euchner H, Mihalkovic M, Gähler F, Johnson MR, Schober H, Rols S, Suard E, Bosak A, Ohhashi S, Tsai A-P, Lidin S, et al. (2011)
Physical Review B 83(14): 144202.

Zeitschriftenaufsatz | Veröffentlicht | Englisch
 
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Autor*in
Euchner, H.; Mihalkovic, M.; Gähler, FranzUniBi; Johnson, M. R.; Schober, H.; Rols, S.; Suard, E.; Bosak, A.; Ohhashi, S.; Tsai, A. -P.; Lidin, S.; Gomez, C. Pay
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Abstract / Bemerkung
We present a combined experimental and theoretical study of the structure and the lattice dynamics in the complex metallic alloy Mg2Zn11, by means of neutron and x-ray scattering, as well as ab initio and empirical potential calculations. Mg2Zn11 can be seen as an intermediate step in structural complexity between the simple Laves-phase MgZn2 on one side, and the complex 1/1 approximants and quasicrystals ZnMgAl and Zn(Mg)Sc on the other. The structure can be described as a cubic packing of a triacontahedron whose center is partially occupied by a Zn atom. This partially occupied site turned out to play a major role in understanding the lattice dynamics. Data from inelastic neutron scattering evidence a Van Hove singularity in the vibrational spectrum of Mg2Zn11 for an energy as low as 4.5 meV, which is a unique feature for a nearly-close-packed metallic alloy. This corresponds to a gap opening at the Brillouin zone boundary and an interaction between a low-lying optical branch and an acoustic one, as could be deduced from the dispersion relation measured by inelastic x-ray scattering. Second, the measured phonon density of states exhibits many maxima, indicating strong mode interactions across the whole energy range. The origin of the low-energy modes in Mg2Zn11 and other features of the vibrational spectra are studied, using both ab initio and empirical potential calculations. A detailed analysis of vibrational eigenmodes is presented, linking features in the vibrational spectrum to atomic motions within structural building blocks.
Erscheinungsjahr
2011
Zeitschriftentitel
Physical Review B
Band
83
Ausgabe
14
Art.-Nr.
144202
ISSN
1098-0121
Page URI
https://pub.uni-bielefeld.de/record/2093470

Zitieren

Euchner H, Mihalkovic M, Gähler F, et al. Anomalous vibrational dynamics in the Mg2Zn11 phase. Physical Review B. 2011;83(14): 144202.
Euchner, H., Mihalkovic, M., Gähler, F., Johnson, M. R., Schober, H., Rols, S., Suard, E., et al. (2011). Anomalous vibrational dynamics in the Mg2Zn11 phase. Physical Review B, 83(14), 144202. https://doi.org/10.1103/PhysRevB.83.144202
Euchner, H., Mihalkovic, M., Gähler, F., Johnson, M. R., Schober, H., Rols, S., Suard, E., Bosak, A., Ohhashi, S., Tsai, A. - P., et al. (2011). Anomalous vibrational dynamics in the Mg2Zn11 phase. Physical Review B 83:144202.
Euchner, H., et al., 2011. Anomalous vibrational dynamics in the Mg2Zn11 phase. Physical Review B, 83(14): 144202.
H. Euchner, et al., “Anomalous vibrational dynamics in the Mg2Zn11 phase”, Physical Review B, vol. 83, 2011, : 144202.
Euchner, H., Mihalkovic, M., Gähler, F., Johnson, M.R., Schober, H., Rols, S., Suard, E., Bosak, A., Ohhashi, S., Tsai, A.-P., Lidin, S., Gomez, C.P., Custers, J., Paschen, S., de Boissieu, M.: Anomalous vibrational dynamics in the Mg2Zn11 phase. Physical Review B. 83, : 144202 (2011).
Euchner, H., Mihalkovic, M., Gähler, Franz, Johnson, M. R., Schober, H., Rols, S., Suard, E., Bosak, A., Ohhashi, S., Tsai, A. -P., Lidin, S., Gomez, C. Pay, Custers, J., Paschen, S., and de Boissieu, M. “Anomalous vibrational dynamics in the Mg2Zn11 phase”. Physical Review B 83.14 (2011): 144202.

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