Theoretical Study of Structures of Solid Oxygen under High Pressure

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概要

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• The structure of solid oxygen under high pressure is studied up to 6 GPa with no empirical parameters. The potential of the crystal is described by superposition of O_2 pair potentials calculated by the ab initio method. Structural optimization is achieved with this potential energy surface. The monoclinic structure is stable up to 6 GPa and a monoclinic-orthorhombic structural transition is not found. The pressure dependence of lattice constants agrees with the result of recent X-ray diffraction experiments.

• 社団法人日本物理学会の論文
• 2002-02-15

著者

• Makoshi Kenji

  Faculty Of Engineering Science Osaka University

• Makoshi Kenji

  Faculty Of Science Himeji Institute Of Technology:japan Synchrotron Radiation Research Institute (ja

• Shima Nobuyuki

  Faculty Of Science Himeji Institute Of Technology

• NOZAWA Kazuki

  Faculty of Science, Himeji Institute of Technology

• Nozawa Kazuki

  Faculty Of Science Himeji Institute Of Technology:japan Synchrotron Radiation Research Institute (ja

• Shima Nobuyuki

  Faculty of Science, Himeji Institute of Technology

• Nozawa Kazuki

  Faculty of Engineering, Gifu University, Gifu 501-1193, Japan

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