Density functional studies of magnetic behavior of layered Ag(II) fluorides

ORAL

Abstract

We present an extensive study of the structural and magnetic properties of layered Ag(II) fluoride Cs$_{2}$AgF$_{4}$ by using density functional theory within the local spin density approximation. We find that this material is well described as a two-dimensional ferromagnetism. Our investigations of a number of ground state properties are in good agreement with reported experiments. We also predict Jahn-Teller distortions in the low pressure phase and find that elastic anisotropy and the electric field created by the displacement of F ions does not modify the orbital order and origin of ferromagnetism.

Authors

  • Sefa Dag

    Oak Ridge National Laboratory

  • Vincent Meunier

    Oak Ridge National Laboratory

  • William A. Shelton

    Oak Ridge National Laboratory

  • Douglas J. Scalapino

    University of California, Santa Barbara, UCSB, University of California at Santa Barbara