Electronic Structure of the Palladium Hydride Studied by Compton Scattering (Condensed Matter: Electronic Structure, Electrical, Magnetic and Optical Properties)
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概要
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The hydrogen-induced changes in the electronic structure of Pd have been investigated by Compton scattering experiments associated with theoretical calculations. Compton profiles (CPs) of single crystal of Pd and p phase hydride PdH_x (x = 0.62-0.74) have been measured along the [100], [110] and [111] directions with a momentum resolution of 0.14-0.17 atomic units using 115keV x-rays. The theoretical Compton profiles have been calculated from the wavefunctions obtained utilizing the full potential linearized augmented plane wave method within the local density approximation for Pd and stoichiometric PdH. The experimental and the theoretical results agreed well with respect to the difference in the CPs between PdHv and Pd, and the anisotropy in the CPs of Pd or PdHA_x. This study provides lines of evidence that upon hydride formation the lowest valance band of Pd is largely modified due to hybridization with H 1s-orbitals and the Fermi energy is raised into the sp-band.
- 社団法人日本物理学会の論文
- 2003-05-15
著者
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山本 勲
横浜国立大学
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山本 勲
横国大工
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Yamaguchi M
Department Of Physics Yokohama National University
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YAMAMOTO Isao
Department of Neurosurgery, Yokohama City University School of Medicine
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Shimizu Y
Matsushita Electric Industrial Co. Ltd. Osaka Jpn
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Mizusaki Souichiro
Department Of Physics Yokohama National University
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YAMAGUCHI Masuhiro
Department of Physics, Yokohama National University
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Yamamoto Isao
Department Of Electronic Engineering Faculty Of Engineering Okayama University Of Science
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Yamato M
Department Of Physics Yokohama National University
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ITOU Masayoshi
Japan Synchrotron Radiation Research Institute (JASRI), SPring-8
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SAKURAI Yoshiharu
Japan Synchrotron Radiation Research Institute (JASRI), SPring-8
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HIRAOKA Nozomu
Japan Synchrotron Radiation Research Institute (JASRI)
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Yamamoto I
Department Of Physics Yokohama National University
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Yamaguchi M
Center For Computational Science And E-systems (ccse) Japan Atomic Energy Agency (jaea)
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Itou M
Japan Synchrotron Radiation Res. Inst. (jasri) Hyogo Jpn
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Itou Masayoshi
Japan Synchrotron Radiation Research Institute (jasri)
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Yamaguchi Masuhiro
Department Of Applied Physics Faculty Of Science Tokyo Institute Of Technology
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Sakurai Yoshiharu
Japan Synchrotron Radiation Research Institute
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