Ab initio Molecular Dynamics Simulations of Structural Transformations in Silicon

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概要

• 論文の詳細を見る

• Constant-pressure ab initio molecular dynamics simulations were carried out to study structural phase transitions of silicon at high pressure region. In a compression process, a structural transformation from the diamond to the simple hexagonal structure was observed. In a decompression process, the fcc structure was transformed to the simple hexagonal one accompanying with slight deformation. In spite of our small system size and crude electronic state calculations, we could realize several structural transformations.

• 理論物理学刊行会の論文
• 2000-04-28

著者

• Morishita Tetsuya

  Department Of Physics Faculty Of Science And Technology Keio University

• NOSE Shuichi

  Department of Physics, Faculty of Science and Technology, Keio University

• Nose Shuichi

  Department Of Physics Faculty Of Science And Technology Keio University

• MORISHITA Tetsuya

  Department of Physics, Faculty of Science and Technology, Keio University

• MORISHITA Tetsuji

  Department of Applied Physics, Fukui University

• NOSE Shuichi

  Department of Physics, Faculty of Science and Technology Keio University

関連論文

• Analysis of Intermittent Phenomena for High Energy Multiparticle Production Processes : Particles and Fields
• Ab initio Molecular Dynamics Simulations of Structural Transformations in Silicon
• Constant Temperature Molecular Dynamics Methods
• NONEQUILIBRIUM STRUCTURAL CHANGES OF A VISCOELASTIC LIQUID UNDER OSCILLATORY SHEAR(Session III : Complex Fluids, The 1st Tohwa University International Meeting on Statistical Physics Theories, Experiments and Computer Simulations)

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