Simulation of Modulated Structures in Quartz : Condensed Matter: Structure, etc.

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概要

• 論文の詳細を見る

• We report the results of molecular-dynamics calculation of equilibrium modulated phases of quartz in the vicinity of pressure induced α - β transition. A numerical method suitable for simulation of modulated phases in the vicinity of transition point was developed. The phase diagram with respect to the unit cell deformations was obtained from the pairwise interatomic potentials by [Tsuneyuki et al.: Phys. Rev. Lett. 61 (1988) 869]. The results show that the modulated structures with various wavevectors appear between α- and β-phases suggesting that the softening may occur at any point on the Σ Iine in the Brillouin zone and that a structure with large wavevector seems to be more probable than one with a small wavevector.

• 社団法人日本物理学会の論文
• 2001-02-15

著者

• ABE Kohji

  Department of Applied Physics and Chemistry,University of Electro-Communications

• SHIGENARI Takeshi

  Department of Applied Physics and Chemistry,University of Electro-Communications

• Shigenari Takeshi

  Department Of Applied Physics And Chemistry University Of Electro-communications

• Abe K

  Waseda Univ. Tokyo

• Abe Kohji

  Department Of Applied Physics And Chemistry The University Of Electro-communications

• DMITRIEV Sergey

  物質・材料研究機構

• Dmitriev Sergey

  Department Of Applied Physics And Chemistry University Of Electro-communications:(permanent) Departm

• Shigenari Takeshi

  Dept. of allo. Phys. and Chem., Univ. fo Electro-Communications

• YAJIMA Miki

  Department of Applied Physics and Chemistry, University of Electro-Communications

• MAKITA Yoshiya

  Department of Applied Physics and Chemistry, University of Electro-Communications

• SEMAGIN Denis

  Department of Applied Physics and Chemistry, University of Electro-Communications

• Shigenari T

  Department Of Applied Physics And Chemistry University Of Electro-communications

• Shigenari Takeshi

  Department O Engineering Physics The University Of Electro-communications

• Yajima Miki

  Department Of Applied Physics And Chemistry University Of Electro-communications

• Semagin Denis

  Department Of Applied Physics And Chemistry University Of Electro-communications:(on Leave From) Ver

• Dmitriev Sergey

  Department Of Applied Physics And Chemistry University Of Electro-communications

• ABE Kohji

  Department of Applied Physics and Chemistry, University of Electro-Communications

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