High-Resolution Inelastic X-Ray Scattering II: Scattering Theory, Harmonic Phonons, and Calculations

Baron, Alfred Q. R.

doi:10.1007/978-3-319-04507-8_52-1

Cited by 7 publications

(13 citation statements)

References 49 publications

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“…The latest work reported that the single-defect phonon could be successfully imaged by the newly developed angle-resolved electron energy-loss spectroscopy (EELS); however, resolving phonon dispersions is still challenging due to the momentum resolutions [112]. Table 1 lists the comparison of different phonon anharmonic-related experimental methods, including principles, applications, advantages, and limitations [112][113][114][115], which could help the readers understand and choose the appropriate one when dealing with the problems on hand.…”

Section: Crystal Structure Methodsmentioning

confidence: 99%

Phonon anharmonicity: a pertinent review of recent progress and perspective

Wei

Sun

et al. 2021

Sci. China Phys. Mech. Astron.

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Anharmonic lattice vibrations play pivotal roles in the thermal dynamics in condense matters and affect how the atoms interact and conduct heat. An in-depth understanding of the microscopic mechanism of phonon anharmonicity in condensed systems is critical for developing better functional and energy materials. In recent years, various novel behaviors in condense matters driven by phonon anharmonic effects were discovered, such as soft mode phase transition, negative thermal expansion (NTE), multiferroicity, ultralow thermal conductivity (κ), high thermal resistance, and high-temperature superconductivity. These properties have endowed anharmonicity with many promising applications and provided remarkable opportunities for developing "Anharmonicity Engineering"-regulating heat transport towards excellent performance in materials. In this work, we review the recent development of studies on phonon anharmonic effect and summarize its origin, mechanism, research methods, and applications. Besides, the remaining challenges, future trends, and prospects of phonon anharmonicity are also discussed.

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Section: Crystal Structure Methodsmentioning

confidence: 99%

Phonon anharmonicity: a pertinent review of recent progress and perspective

Wei

Sun

et al. 2021

Sci. China Phys. Mech. Astron.

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“…The IXS intensity is proportional to the dynamic structure factor, which can be written (see, e.g. [8]):…”

Section: Calculationsmentioning

confidence: 99%

“…Impulsive stimulated light scattering (ISS) [7] showed softenings in three elastic constants (C 11 , C 44 , and C 12 ) around the spin transition [2]. Meanwhile, an Inetastic xray scattering (IXS) [8] suggested that only C 44 softens [4]. In addition, a recent study using light scattering techniques (ISS and Brillouin light scattering in which a green laser was used as a probe) reported that C 11 and C 12 show sof tening but C 44 does not [6].…”

Section: Introductionmentioning

confidence: 99%

Pressure dependence of transverse acoustic phonon energy in ferropericlase across the spin transition

Fukui

Baron

Ishikawa

et al. 2017

J. Phys.: Condens. Matter

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We investigated transverse acoustic (TA) phonons in iron-bearing magnesium oxide (ferropericlase) up to 56 GPa using inelastic x-ray scattering (IXS). The results show that the energy of the TA phonon far from the Brillouin zone center suddenly increases with increasing pressure above the spin transition pressure of ferropericlase. Ab initio calculations revealed that the TA phonon energy far from the Brillouin zone center is higher in the low-spin state than in the high spin state; that the TA phonon energy depend weakly on pressure; and that the energy gap between the TA and the lowest-energy-optic phonons is much narrower in the low-spin state than in the high-spin state. This allows us to conclude that the anomalous behavior of the TA mode in the present experiments is the result of gap narrowing due to the spin transition and explains contradictory results in previous experimental studies.

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“…G ( R , t ) is directly related to an intermediate scattering function, F ( Q , t ), and the dynamic structure functions, S ( Q , E ), via the Fourier transformation; thus, the quasi-elastic and inelastic scattering of X-ray and neutron can be used to obtain the VHF experimentally if the Fourier transform can be reliably carried out. Thanks to the recent progress in high-resolution inelastic X-ray scattering (IXS), , the VHF can be determined experimentally, being utilized to identify correlated motions in liquids. − This technique has shown the relationship between the decay behavior of the first neighboring peak and macroscopic viscosity in pure water. , Furthermore, it has shown the slowing-down of the local correlated dynamics of water in the hydration shells around Cl – ions in the aqueous solution of sodium chloride . Still, there remained uncertainty about the detailed water–ion correlated motions owing to the intrinsic broad width of the correlation profiles.…”

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confidence: 99%

Identifying Water–Anion Correlated Motion in Aqueous Solutions through Van Hove Functions

Shinohara

Matsumoto

Thompson

et al. 2019

J. Phys. Chem. Lett.

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Electrolyte solutions are ubiquitous in materials in daily use and in biological systems. However, the understanding of their molecular and ionic dynamics, particularly those of their correlated motions, are elusive despite extensive experimental, theoretical, and numerical studies. Here we report the real-space observations of the molecular/ionic-correlated dynamics of aqueous salt (NaCl, NaBr, and NaI) solutions using the Van Hove functions obtained by high-resolution inelastic X-ray scattering measurement and molecular dynamics simulation. Our results directly depict the distance-dependent dynamics of aqueous salt solutions on the picosecond time scale and identify the changes in the anion−water correlations. This study demonstrates the capability of the real-space Van Hove function analysis to describe the local correlated dynamics in aqueous salt solutions.

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High-Resolution Inelastic X-Ray Scattering II: Scattering Theory, Harmonic Phonons, and Calculations

Cited by 7 publications

References 49 publications

Phonon anharmonicity: a pertinent review of recent progress and perspective

Phonon anharmonicity: a pertinent review of recent progress and perspective

Pressure dependence of transverse acoustic phonon energy in ferropericlase across the spin transition

Identifying Water–Anion Correlated Motion in Aqueous Solutions through Van Hove Functions

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