Static and dynamic structures of liquid Ba8Ga16Sn30: A melt of the thermoelectric clathrate compounds

M. Inui, K. Suekuni, Y. Kajihara, S. Hosokawa, T. Takabatake, Y. Nakajima, K. Matsuda, K. Ohara, H. Uchiyama, S. Tsutsui

Research output: Contribution to journalArticle

Abstract

X-ray diffraction and inelastic x-ray scattering measurements of liquid Ba8Ga16Sn30 have been carried out to investigate local structure and atomic dynamics in the liquid. The pair distribution function shows shorter and longer interatomic distances in the first coordination shell. The dynamic structure factor exhibits the inelastic excitations on both sides of the quasielastic central peak. The inelastic excitations disperse with increasing the momentum transfer, suggesting the longitudinal acoustic mode. We found a low energy excitation in addition to the longitudinal acoustic excitation in the dynamic structure factor and it reminds us a strong relationship with a rattling motion of a guest (Ba) atom in the solid state. The temperature dependence of the pair distribution function and the longitudinal acoustic excitation energy is very weak in a range from 600 to 900 °C. The result suggests that Ba and other atoms in the melt are located around minimum positions of the effective pair potential approximated as a harmonic one.

Original languageEnglish
Article number455101
JournalJournal of Physics Condensed Matter
Volume30
Issue number45
DOIs
Publication statusPublished - Oct 18 2018

Fingerprint

clathrates
acoustic excitation
Excitation energy
Distribution functions
Liquids
liquids
Acoustics
distribution functions
excitation
Atoms
Lattice vibrations
Momentum transfer
x ray scattering
momentum transfer
atoms
inelastic scattering
Scattering
solid state
harmonics
X ray diffraction

All Science Journal Classification (ASJC) codes

  • Materials Science(all)
  • Condensed Matter Physics

Cite this

Static and dynamic structures of liquid Ba8Ga16Sn30 : A melt of the thermoelectric clathrate compounds. / Inui, M.; Suekuni, K.; Kajihara, Y.; Hosokawa, S.; Takabatake, T.; Nakajima, Y.; Matsuda, K.; Ohara, K.; Uchiyama, H.; Tsutsui, S.

In: Journal of Physics Condensed Matter, Vol. 30, No. 45, 455101, 18.10.2018.

Research output: Contribution to journalArticle

Inui, M, Suekuni, K, Kajihara, Y, Hosokawa, S, Takabatake, T, Nakajima, Y, Matsuda, K, Ohara, K, Uchiyama, H & Tsutsui, S 2018, 'Static and dynamic structures of liquid Ba8Ga16Sn30: A melt of the thermoelectric clathrate compounds', Journal of Physics Condensed Matter, vol. 30, no. 45, 455101. https://doi.org/10.1088/1361-648X/aae3f3
Inui, M. ; Suekuni, K. ; Kajihara, Y. ; Hosokawa, S. ; Takabatake, T. ; Nakajima, Y. ; Matsuda, K. ; Ohara, K. ; Uchiyama, H. ; Tsutsui, S. / Static and dynamic structures of liquid Ba8Ga16Sn30 : A melt of the thermoelectric clathrate compounds. In: Journal of Physics Condensed Matter. 2018 ; Vol. 30, No. 45.
@article{93a89bd840dd40618a89c3a36e6c9ddb,
title = "Static and dynamic structures of liquid Ba8Ga16Sn30: A melt of the thermoelectric clathrate compounds",
abstract = "X-ray diffraction and inelastic x-ray scattering measurements of liquid Ba8Ga16Sn30 have been carried out to investigate local structure and atomic dynamics in the liquid. The pair distribution function shows shorter and longer interatomic distances in the first coordination shell. The dynamic structure factor exhibits the inelastic excitations on both sides of the quasielastic central peak. The inelastic excitations disperse with increasing the momentum transfer, suggesting the longitudinal acoustic mode. We found a low energy excitation in addition to the longitudinal acoustic excitation in the dynamic structure factor and it reminds us a strong relationship with a rattling motion of a guest (Ba) atom in the solid state. The temperature dependence of the pair distribution function and the longitudinal acoustic excitation energy is very weak in a range from 600 to 900 °C. The result suggests that Ba and other atoms in the melt are located around minimum positions of the effective pair potential approximated as a harmonic one.",
author = "M. Inui and K. Suekuni and Y. Kajihara and S. Hosokawa and T. Takabatake and Y. Nakajima and K. Matsuda and K. Ohara and H. Uchiyama and S. Tsutsui",
year = "2018",
month = "10",
day = "18",
doi = "10.1088/1361-648X/aae3f3",
language = "English",
volume = "30",
journal = "Journal of Physics Condensed Matter",
issn = "0953-8984",
publisher = "IOP Publishing Ltd.",
number = "45",

}

TY - JOUR

T1 - Static and dynamic structures of liquid Ba8Ga16Sn30

T2 - A melt of the thermoelectric clathrate compounds

AU - Inui, M.

AU - Suekuni, K.

AU - Kajihara, Y.

AU - Hosokawa, S.

AU - Takabatake, T.

AU - Nakajima, Y.

AU - Matsuda, K.

AU - Ohara, K.

AU - Uchiyama, H.

AU - Tsutsui, S.

PY - 2018/10/18

Y1 - 2018/10/18

N2 - X-ray diffraction and inelastic x-ray scattering measurements of liquid Ba8Ga16Sn30 have been carried out to investigate local structure and atomic dynamics in the liquid. The pair distribution function shows shorter and longer interatomic distances in the first coordination shell. The dynamic structure factor exhibits the inelastic excitations on both sides of the quasielastic central peak. The inelastic excitations disperse with increasing the momentum transfer, suggesting the longitudinal acoustic mode. We found a low energy excitation in addition to the longitudinal acoustic excitation in the dynamic structure factor and it reminds us a strong relationship with a rattling motion of a guest (Ba) atom in the solid state. The temperature dependence of the pair distribution function and the longitudinal acoustic excitation energy is very weak in a range from 600 to 900 °C. The result suggests that Ba and other atoms in the melt are located around minimum positions of the effective pair potential approximated as a harmonic one.

AB - X-ray diffraction and inelastic x-ray scattering measurements of liquid Ba8Ga16Sn30 have been carried out to investigate local structure and atomic dynamics in the liquid. The pair distribution function shows shorter and longer interatomic distances in the first coordination shell. The dynamic structure factor exhibits the inelastic excitations on both sides of the quasielastic central peak. The inelastic excitations disperse with increasing the momentum transfer, suggesting the longitudinal acoustic mode. We found a low energy excitation in addition to the longitudinal acoustic excitation in the dynamic structure factor and it reminds us a strong relationship with a rattling motion of a guest (Ba) atom in the solid state. The temperature dependence of the pair distribution function and the longitudinal acoustic excitation energy is very weak in a range from 600 to 900 °C. The result suggests that Ba and other atoms in the melt are located around minimum positions of the effective pair potential approximated as a harmonic one.

UR - http://www.scopus.com/inward/record.url?scp=85055605218&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=85055605218&partnerID=8YFLogxK

U2 - 10.1088/1361-648X/aae3f3

DO - 10.1088/1361-648X/aae3f3

M3 - Article

C2 - 30251705

AN - SCOPUS:85055605218

VL - 30

JO - Journal of Physics Condensed Matter

JF - Journal of Physics Condensed Matter

SN - 0953-8984

IS - 45

M1 - 455101

ER -