Fcc-bcc Phase Transition of Te Sublattice in Superionic Conductor Ag_2Te: A Molecular Dynamics Study

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概要

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• The fcc-bcc phase transition of the Te sublattice in superionic conductor Ag.Te isinvestigated by means of a constant tc:mperature and constant pressure moleculard)'namics simulation with Coulomb and soft-core potentials. As the temperature in-creases, a gain of tlte Coulomb energy irx the low temperature fcc phase decreases wxthincreasing the residence time of Ag ions in the octahedra, and tlaen the transforma-lion into the bcc phase takes place so as to make the configurational erxtropy increase.The phase diagram of the Coulomb and soft-core system is studied by varying boththe temperature and the pressure. It is shown, by using the scaling properties of thesystem, that the reversible fcc-bcc phase transition appears only in a delicate balancebetween the Coulomb potential and the soft-core potential.[ phase transition, superionic conductor, Ag,Te, molecular dynamics, computer ]l simulationl

• 社団法人日本物理学会の論文
• 1992-12-15

著者

• Shimojo Fuyuki

  Graduate School Of Science And Technology Kumamoto University

• Okazaki Hideo

  College Of General Education Niigata University

• Okazaki Hideo

  College Of General Education Niigat University

• Okazaki Hideo

  College of General Education,Niigata University

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