Neutron scattering measurements of phonons in nickel at elevated temperatures

Kresch, M.; Delaire, Olivier; Stevens, R.R.; Lin, Jiao; Fultz, B.

doi:10.1103/physrevb.75.104301

Cited by 70 publications

(51 citation statements)

References 41 publications

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“…Details of the data collection and reduction procedures are described elsewhere. [19][20][21] The resulting neutron-weighted phonon DOS curves are shown in Figs. 1 and 2͑b͒.…”

Section: Alloysmentioning

confidence: 99%

Effects of chemical composition and B2 order on phonons in bcc Fe–Co alloys

Lucas

Muñoz

Mauger

et al. 2010

Journal of Applied Physics

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The phonon density of states ͑DOS͒ gives insight into interatomic forces and provides the vibrational entropy, making it a key thermodynamic function for understanding alloy phase transformations. Nuclear resonant inelastic x-ray scattering and inelastic neutron scattering were used to measure the chemical dependence of the DOS of bcc Fe-Co alloys. For the equiatomic alloy, the A2 → B2 ͑chemically disordered→ chemically ordered͒ phase transformation caused measurable changes in the phonon spectrum. The measured change in vibrational entropy upon ordering was −0.02Ϯ 0.02 k B /atom, suggesting that vibrational entropy results in a reduction in the orderdisorder transition temperature by 60Ϯ 60 K. The Connolly-Williams cluster inversion method was used to obtain interaction DOS ͑IDOS͒ curves that show how point and pair variables altered the phonon DOS of disordered bcc Fe-Co alloys. These IDOS curves accurately captured the change in the phonon DOS and vibrational entropy of the B2 ordering transition.

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“…Details of the data collection and reduction procedures are described elsewhere. [19][20][21] The resulting neutron-weighted phonon DOS curves are shown in Figs. 1 and 2͑b͒.…”

Section: Alloysmentioning

confidence: 99%

Effects of chemical composition and B2 order on phonons in bcc Fe–Co alloys

Lucas

Muñoz

Mauger

et al. 2010

Journal of Applied Physics

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“…From this S(Q, E), the generalized (neutron weighted) phonon DOS was obtained by applying corrections for thermal occupation, as well as multiphonon and multiple scattering with incoherent scattering approximation. 46 The results for the phonon DOS are shown in Fig. 1.…”

Section: Methodsmentioning

confidence: 99%

Anharmonicity and atomic distribution of SnTe and PbTe thermoelectrics

Cao

et al. 2014

Phys. Rev. B

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The structure and lattice dynamics of rock-salt thermoelectric materials SnTe and PbTe are investigated with single crystal and powder neutron diffraction, inelastic neutron scattering (INS), and first-principles simulations. Our first-principles calculations of the radial distribution function (RDF) in both SnTe and PbTe show a clear asymmetry in the first nearest-neighbor (1NN) peak, which increases with temperature, in agreement with recent experimental reports. We show that this peak asymmetry for the 1NN Sn-Te or Pb-Te bond results from large-amplitude anharmonic vibrations (phonons). No atomic off-centering is found in our simulations. In addition, the atomic mean square displacements derived from our diffraction data reveal stiffer bonding at the anion site, in good agreement with the partial phonon densities of states from INS, and first-principles calculations. These results provide clear evidence for large-amplitude anharmonic phonons associated with the resonant bonding leading to the ferroelectric instability.

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“…1 Understanding how composition, structure, temperature, and pressure alter the phonon frequencies has become a rich topic for materials research. [2][3][4][5][6][7] Unfortunately, simple rules derived from atomic mass, size, electronegativity, electron-to-atom ratio, and bond lengths are at best semiquantitative. Quantitative predictions must address the details of the electronic structure and how it depends on nuclear positions.…”

Section: Introductionmentioning

confidence: 99%

Effects of composition, temperature, and magnetism on phonons in bcc Fe-V alloys

et al. 2010

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The phonon densities of states of body-centered-cubic Fe-V alloys across the full composition range were studied by inelastic neutron scattering, nuclear resonant inelastic x-ray scattering, and ab initio calculations. The average phonon energy followed the inverse of the electronic heat capacity and the inverse of the electronic density of states at the Fermi level, showing how the interatomic forces depend on electronic screening. These quantities, including phonon energy, changed rapidly near the composition of the paramagneticferromagnetic transition. For Fe-and V-rich alloys, the thermal phonon softening deviated from quasiharmonic behavior but better agreement was found for intermediate compositions. The Fe partial phonon density of states has a distinctly different shape than V for alloys with less than 50 at. % Fe.

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Neutron scattering measurements of phonons in nickel at elevated temperatures

Cited by 70 publications

References 41 publications

Effects of chemical composition and B2 order on phonons in bcc Fe–Co alloys

Effects of chemical composition and B2 order on phonons in bcc Fe–Co alloys

Anharmonicity and atomic distribution of SnTe and PbTe thermoelectrics

Effects of composition, temperature, and magnetism on phonons in bcc Fe-V alloys

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