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

    Research output: Contribution to journalArticle

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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

    Fingerprint

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