Determination of the local structure of CsBi4-: XPbxTe6 (x = 0, 0.5) by X-ray absorption spectroscopy

Takanori Wakita, Eugenio Paris, Takashi Mizokawa, Muammer Yasin Hacisalihoǧlu, Kensei Terashima, Hiroyuki Okazaki, Olivier Proux, Isabelle Kieffer, Eric Lahera, William Del Net, Luca Olivi, Yoshihiko Takano, Yuji Muraoka, Takayoshi Yokoya, Naurang L. Saini

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Abstract

We have studied the local structure and valence electronic unoccupied states of thermoelectric CsBi4Te6 and superconducting CsBi3.5Pb0.5Te6 (Tc ∼ 3 K) by extended X-ray absorption fine structure (EXAFS) and X-ray absorption near edge structure (XANES) measurements. The Bi-L3 edge EXAFS reveals wide Bi-Te distance distribution for both compounds indicating complex atomic arrangements in the studied system. The mean square relative displacements (MSRDs) of the Bi-Te bond distances appear largely increased in Pb substituted system due to larger overall local disorder, however, one of the Bi-Te bonds shows a reduced disorder. On the other hand, the Bi-L3 edge XANES is hardly affected by Pb substitution while the Te-L1 edge XANES reveals increased density of unoccupied Te 5p states. This suggests that the carriers introduced by the Pb substitution in CsBi4-xPbxTe6 preferentially goes on Te sites. Similarly, the Cs-L3 edge XANES also shows small changes due to Pb-substitution and reduced local disorder indicated by the reduced width of the Cs-L3 edge white line. We have also shown that the X-ray photoemission spectroscopy (XPS) measurements on various electronic core levels are in a qualitative agreement with the XANES results. These findings are consistent with carrier doping and a reduced disorder in one direction to be likely factors to drive the thermoelectric CsBi4Te6 into a bulk superconductor by Pb-substitution in CsBi4-xPbxTe6.

Original languageEnglish
Pages (from-to)25136-25142
Number of pages7
JournalPhysical Chemistry Chemical Physics
Volume18
Issue number36
DOIs
Publication statusPublished - 2016

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X ray absorption spectroscopy
X ray absorption
absorption spectroscopy
Substitution reactions
x rays
disorders
substitutes
Core levels
Electronic states
fine structure
Photoelectron spectroscopy
X ray spectroscopy
Superconducting materials
Doping (additives)
electronics
photoelectric emission
valence

ASJC Scopus subject areas

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

Cite this

Wakita, T., Paris, E., Mizokawa, T., Hacisalihoǧlu, M. Y., Terashima, K., Okazaki, H., ... Saini, N. L. (2016). Determination of the local structure of CsBi4-: XPbxTe6 (x = 0, 0.5) by X-ray absorption spectroscopy. Physical Chemistry Chemical Physics, 18(36), 25136-25142. https://doi.org/10.1039/c6cp04949d

Determination of the local structure of CsBi4-: XPbxTe6 (x = 0, 0.5) by X-ray absorption spectroscopy. / Wakita, Takanori; Paris, Eugenio; Mizokawa, Takashi; Hacisalihoǧlu, Muammer Yasin; Terashima, Kensei; Okazaki, Hiroyuki; Proux, Olivier; Kieffer, Isabelle; Lahera, Eric; Del Net, William; Olivi, Luca; Takano, Yoshihiko; Muraoka, Yuji; Yokoya, Takayoshi; Saini, Naurang L.

In: Physical Chemistry Chemical Physics, Vol. 18, No. 36, 2016, p. 25136-25142.

Research output: Contribution to journalArticle

Wakita, T, Paris, E, Mizokawa, T, Hacisalihoǧlu, MY, Terashima, K, Okazaki, H, Proux, O, Kieffer, I, Lahera, E, Del Net, W, Olivi, L, Takano, Y, Muraoka, Y, Yokoya, T & Saini, NL 2016, 'Determination of the local structure of CsBi4-: XPbxTe6 (x = 0, 0.5) by X-ray absorption spectroscopy', Physical Chemistry Chemical Physics, vol. 18, no. 36, pp. 25136-25142. https://doi.org/10.1039/c6cp04949d
Wakita, Takanori ; Paris, Eugenio ; Mizokawa, Takashi ; Hacisalihoǧlu, Muammer Yasin ; Terashima, Kensei ; Okazaki, Hiroyuki ; Proux, Olivier ; Kieffer, Isabelle ; Lahera, Eric ; Del Net, William ; Olivi, Luca ; Takano, Yoshihiko ; Muraoka, Yuji ; Yokoya, Takayoshi ; Saini, Naurang L. / Determination of the local structure of CsBi4-: XPbxTe6 (x = 0, 0.5) by X-ray absorption spectroscopy. In: Physical Chemistry Chemical Physics. 2016 ; Vol. 18, No. 36. pp. 25136-25142.
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AU - Wakita, Takanori

AU - Paris, Eugenio

AU - Mizokawa, Takashi

AU - Hacisalihoǧlu, Muammer Yasin

AU - Terashima, Kensei

AU - Okazaki, Hiroyuki

AU - Proux, Olivier

AU - Kieffer, Isabelle

AU - Lahera, Eric

AU - Del Net, William

AU - Olivi, Luca

AU - Takano, Yoshihiko

AU - Muraoka, Yuji

AU - Yokoya, Takayoshi

AU - Saini, Naurang L.

PY - 2016

Y1 - 2016

N2 - We have studied the local structure and valence electronic unoccupied states of thermoelectric CsBi4Te6 and superconducting CsBi3.5Pb0.5Te6 (Tc ∼ 3 K) by extended X-ray absorption fine structure (EXAFS) and X-ray absorption near edge structure (XANES) measurements. The Bi-L3 edge EXAFS reveals wide Bi-Te distance distribution for both compounds indicating complex atomic arrangements in the studied system. The mean square relative displacements (MSRDs) of the Bi-Te bond distances appear largely increased in Pb substituted system due to larger overall local disorder, however, one of the Bi-Te bonds shows a reduced disorder. On the other hand, the Bi-L3 edge XANES is hardly affected by Pb substitution while the Te-L1 edge XANES reveals increased density of unoccupied Te 5p states. This suggests that the carriers introduced by the Pb substitution in CsBi4-xPbxTe6 preferentially goes on Te sites. Similarly, the Cs-L3 edge XANES also shows small changes due to Pb-substitution and reduced local disorder indicated by the reduced width of the Cs-L3 edge white line. We have also shown that the X-ray photoemission spectroscopy (XPS) measurements on various electronic core levels are in a qualitative agreement with the XANES results. These findings are consistent with carrier doping and a reduced disorder in one direction to be likely factors to drive the thermoelectric CsBi4Te6 into a bulk superconductor by Pb-substitution in CsBi4-xPbxTe6.

AB - We have studied the local structure and valence electronic unoccupied states of thermoelectric CsBi4Te6 and superconducting CsBi3.5Pb0.5Te6 (Tc ∼ 3 K) by extended X-ray absorption fine structure (EXAFS) and X-ray absorption near edge structure (XANES) measurements. The Bi-L3 edge EXAFS reveals wide Bi-Te distance distribution for both compounds indicating complex atomic arrangements in the studied system. The mean square relative displacements (MSRDs) of the Bi-Te bond distances appear largely increased in Pb substituted system due to larger overall local disorder, however, one of the Bi-Te bonds shows a reduced disorder. On the other hand, the Bi-L3 edge XANES is hardly affected by Pb substitution while the Te-L1 edge XANES reveals increased density of unoccupied Te 5p states. This suggests that the carriers introduced by the Pb substitution in CsBi4-xPbxTe6 preferentially goes on Te sites. Similarly, the Cs-L3 edge XANES also shows small changes due to Pb-substitution and reduced local disorder indicated by the reduced width of the Cs-L3 edge white line. We have also shown that the X-ray photoemission spectroscopy (XPS) measurements on various electronic core levels are in a qualitative agreement with the XANES results. These findings are consistent with carrier doping and a reduced disorder in one direction to be likely factors to drive the thermoelectric CsBi4Te6 into a bulk superconductor by Pb-substitution in CsBi4-xPbxTe6.

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