Preparation and electronic states of Na16Ba8Si 136 clathrate

Takeshi Rachi; Katsumi Tanigaki; Ryotaro Kumashiro; Johannes Winter; Hans Kuzmany

doi:10.1016/j.cplett.2005.04.076

Preparation and electronic states of Na₁₆Ba₈Si ₁₃₆ clathrate

Takeshi Rachi, Katsumi Tanigaki, Ryotaro Kumashiro, Johannes Winter, Hans Kuzmany

Advanced Institute for Materials Research (AIMR)

Research output: Contribution to journal › Article › peer-review

23 Citations (Scopus)

Abstract

A Si₁₃₆ compound with an endohedral accommodation of Ba is newly made and its electronic states are compared to those of pure silicon-network superconducting Ba₈Si₄₆. The resulting Na ₁₆Ba₈Si₁₃₆ has indeed a small density of states at the Fermi level and does not superconduct down to 2 K. Rietveld analyses show that Ba is accommodated in a Si₂₈ cage with 0.98 occupancy and Na in Si₂₀ with 0.61. The disappearance of superconductivity could be explained in terms of the little hybridization of Ba 5d/6s with Si₂₈ polyhedral cluster orbitals, leading to a very low density of states at the Fermi level.

Original language	English
Pages (from-to)	48-51
Number of pages	4
Journal	Chemical Physics Letters
Volume	409
Issue number	1-3
DOIs	https://doi.org/10.1016/j.cplett.2005.04.076
Publication status	Published - 2005 Jun 20

ASJC Scopus subject areas

Physics and Astronomy(all)
Physical and Theoretical Chemistry

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10.1016/j.cplett.2005.04.076

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title = "Preparation and electronic states of Na16Ba8Si 136 clathrate",

abstract = "A Si136 compound with an endohedral accommodation of Ba is newly made and its electronic states are compared to those of pure silicon-network superconducting Ba8Si46. The resulting Na 16Ba8Si136 has indeed a small density of states at the Fermi level and does not superconduct down to 2 K. Rietveld analyses show that Ba is accommodated in a Si28 cage with 0.98 occupancy and Na in Si20 with 0.61. The disappearance of superconductivity could be explained in terms of the little hybridization of Ba 5d/6s with Si28 polyhedral cluster orbitals, leading to a very low density of states at the Fermi level.",

author = "Takeshi Rachi and Katsumi Tanigaki and Ryotaro Kumashiro and Johannes Winter and Hans Kuzmany",

note = "Funding Information: The synchrotron radiation experiments were performed by the approval of the Japan Synchrotron Radiation Research Institute (JASRI) as Nanotechnology Support Project. This work was supported by Creation of Nano Devices and Systems Based on New Physical Phenomena and Functional Principles of CREST of JST. The present work is also partially supported by the Tohoku University 21 century COE program {\textquoteleft}Particle-Matter Hierarchy{\textquoteright} of MEXT, Japan. This work was performed by a Grant-in-Aid from the Ministry of Education, Science, and Culture of Japan, no. 13304031.",

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doi = "10.1016/j.cplett.2005.04.076",

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AU - Rachi, Takeshi

AU - Tanigaki, Katsumi

AU - Kumashiro, Ryotaro

AU - Winter, Johannes

AU - Kuzmany, Hans

N1 - Funding Information: The synchrotron radiation experiments were performed by the approval of the Japan Synchrotron Radiation Research Institute (JASRI) as Nanotechnology Support Project. This work was supported by Creation of Nano Devices and Systems Based on New Physical Phenomena and Functional Principles of CREST of JST. The present work is also partially supported by the Tohoku University 21 century COE program ‘Particle-Matter Hierarchy’ of MEXT, Japan. This work was performed by a Grant-in-Aid from the Ministry of Education, Science, and Culture of Japan, no. 13304031.

PY - 2005/6/20

Y1 - 2005/6/20

N2 - A Si136 compound with an endohedral accommodation of Ba is newly made and its electronic states are compared to those of pure silicon-network superconducting Ba8Si46. The resulting Na 16Ba8Si136 has indeed a small density of states at the Fermi level and does not superconduct down to 2 K. Rietveld analyses show that Ba is accommodated in a Si28 cage with 0.98 occupancy and Na in Si20 with 0.61. The disappearance of superconductivity could be explained in terms of the little hybridization of Ba 5d/6s with Si28 polyhedral cluster orbitals, leading to a very low density of states at the Fermi level.

AB - A Si136 compound with an endohedral accommodation of Ba is newly made and its electronic states are compared to those of pure silicon-network superconducting Ba8Si46. The resulting Na 16Ba8Si136 has indeed a small density of states at the Fermi level and does not superconduct down to 2 K. Rietveld analyses show that Ba is accommodated in a Si28 cage with 0.98 occupancy and Na in Si20 with 0.61. The disappearance of superconductivity could be explained in terms of the little hybridization of Ba 5d/6s with Si28 polyhedral cluster orbitals, leading to a very low density of states at the Fermi level.

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JF - Chemical Physics Letters

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Preparation and electronic states of Na₁₆Ba₈Si ₁₃₆ clathrate

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