Pressure induced ferroelastic phase transition in LuLiF4 compound

Anastasia Petrova; Oleg Nedopekin; Dmitrii Tayurskii; Benoit Minisini

Pressure induced ferroelastic phase transition in LuLiF4 compound

Materials Science 2014-06-02 v1 Computational Physics

Authors: Anastasia Petrova , Oleg Nedopekin , Dmitrii Tayurskii , Benoit Minisini

Abstract

The behavior of LuLiF4 sheelite (I41/a, Z = 4) under hydrostatic pressure was investigated by means of the first principles calculations. The ferroelastic phase transition from the tetragonal structure of LuLiF4 to fergusonite structure (C12/c1, Z = 4) has been found at 10.5 GPa. It has been determined that this is the second order phase transition.

Keywords

high-pressure phase transitions

Cite

@article{arxiv.1405.7852,
  title  = {Pressure induced ferroelastic phase transition in LuLiF4 compound},
  author = {Anastasia Petrova and Oleg Nedopekin and Dmitrii Tayurskii and Benoit Minisini},
  journal= {arXiv preprint arXiv:1405.7852},
  year   = {2014}
}

Comments

6 pages, 2 figures

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