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Anomalous vibration...
Anomalous vibrational dynamics in the Mg2Zn11 phase
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- Euchner, H. (författare)
- Grenoble Institute of Technology,University of Stuttgart
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- Johnson, M. R. (författare)
- Institute of Physics, Slovak Academy of Sciences,Institut Laue Langevin
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- Gaehler, F. (författare)
- Bielefeld University
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Johnson, M. R. (författare)
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- Schober, H. (författare)
- Institut Laue Langevin
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- Rols, S. (författare)
- Institut Laue Langevin
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- Suard, E. (författare)
- Institut Laue Langevin
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- Bosak, A. (författare)
- European Synchrotron Radiation Facility
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- Ohhashi, S. (författare)
- Tohoku University
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- Tsai, A. -P (författare)
- Tohoku University
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- Lidin, S. (författare)
- Stockholm University,Lund University,Lunds universitet,-lup-obsolete,Forskargrupper vid Lunds universitet,Inorganic Chemistry Group, Ebbe Nordlander-lup-obsolete,Lund University Research Groups
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- Gómez, Cesar Pay (författare)
- Uppsala University,Uppsala universitet,Strukturkemi
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- Custers, J. (författare)
- Technical University Vienna (TU Wien)
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- Paschen, S. (författare)
- Technical University Vienna (TU Wien)
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- de Boissieu, M. (författare)
- Grenoble Institute of Technology
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(creator_code:org_t)
- 2011
- 2011
- Engelska.
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Ingår i: Physical Review B. Condensed Matter and Materials Physics. - 1098-0121 .- 1550-235X. ; 83:14, s. 144202-
- Relaterad länk:
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http://dx.doi.org/10...
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https://urn.kb.se/re...
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https://doi.org/10.1...
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https://lup.lub.lu.s...
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Abstract
Ämnesord
Stäng
- 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.
Ämnesord
- NATURVETENSKAP -- Fysik (hsv//swe)
- NATURAL SCIENCES -- Physical Sciences (hsv//eng)
- NATURVETENSKAP -- Kemi -- Organisk kemi (hsv//swe)
- NATURAL SCIENCES -- Chemical Sciences -- Organic Chemistry (hsv//eng)
- NATURVETENSKAP -- Kemi -- Materialkemi (hsv//swe)
- NATURAL SCIENCES -- Chemical Sciences -- Materials Chemistry (hsv//eng)
Nyckelord
- Physics
- Fysik
- Inorganic chemistry
- Oorganisk kemi
- Kemi med inriktning mot oorganisk kemi
- Chemistry with specialization in Inorganic Chemistry
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Euchner, H.
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Johnson, M. R.
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Gaehler, F.
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Schober, H.
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Rols, S.
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Suard, E.
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Bosak, A.
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Ohhashi, S.
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Tsai, A. -P
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Lidin, S.
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Gómez, Cesar Pay
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Custers, J.
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Paschen, S.
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de Boissieu, M.
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