Application of Frozen-Phonon Method to Lattice Dynamics in FCC Solid Iodine

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概要

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• First-principles frozen-phonon calculations based on the full-potential linearized augmented-plane-wave method are performed for the X point phonon modes of the high-pressure FCC phaseof solid iodine. The longitudinal and the transverse phonon frequencies have been evaluated to becuj,:231 cm " and cu-j-?:::159 cm ", respectively, at 45 GPa. The phonon frequencies increase withincreasing pressure, i.e. ;?:260 cm " and w7:179 cm " at 64 GPa. The phonon frequenciesin the whole Brillouin zone are calculated by expressing the dynamical matrix as the sum of )(,and 711)g: the generalized electronic susceptibility X is evaluated by utilizing the electron-phononinteraction obtained microscopically on the basis of the tight-binding scheme and the short-rangeforce term Dg is determined so as to reproduce the X point phonon frequencies obtained by thefrozen-phonon method. Pressure effects on the superconductivity of FCC iodine are discussedby using the obtained results.

• 社団法人日本物理学会の論文
• 1996-02-15

著者

• SUZUKI Naoshi

  Department of Material Physics,Faculty of Engineering Science,Osaka University

• 鈴木 直

  大阪大学大学院基礎工学研究科

• Sakai Eiko

  九州大学 歯学部小児口腔医学

• SAKAMOTO Hironori

  Department of Material Physics,Faculty of Engineering Science,Osaka University

• ODA Tatsuki

  Department of Material Physics,Faculty of Engineering Science,Osaka University

• SHIRAI Masafumi

  Department of Material Physics,Faculty of Engineering Science,Osaka University

• 鈴木 直

  Osaka Univ. Toyonaka

• Sakai H

  Osaka Univ. Osaka

• Oda Tatsuki

  Department Of Computational Science Faculty Of Science Kanazawa University

• Oda Tatsuki

  Department Of Material Physics Faculty Of Engineering Science Osaka University

• Suzuki N

  Toshiba Corp. Kawasaki Jpn

• Suzuki Naoshi

  Department Of Material Physics Osaka University

• Suzuki Naoshi

  Department Of Material Phsics Faculty Of Engineering Science Osaka University

• Shirai Masafumi

  Department Of Material Physics Faculty Of Engineering Science Osaka University

• Sakamoto Hironori

  Department Of Material Physics Faculty Of Engineering Science Osaka University

• Sakamoto H

  Department Of Material Physics Faculty Of Engineering Science Osaka University

• Sakamoto H

  Santen Pharmaceutical Co. Ltd. Developmental Research Division

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