Mössbauer Spectroscopy of Triphylite (LiFePO₄) at Low Temperatures

Abstract

Low temperature magnetic ordering in the LiFePO 4 compound is investigated experimentally using Mössbauer spectroscopy and theoretically via first principles calculations. The evaluation of experiment carried out on a powder sample is compatible with an antiferromagnetic order of Fe ion magnetic moments. When an external magnetic field is applied, Fe magnetic moments start to deviate slightly from the [010] easy magnetization direction. These findings are confirmed by means of first principles calculations, which also suggest the magnitude of single ion magnetic anisotropy and orbital and spin-dipolar contributions to the magnetic hyperfine field, which is eventually in a good agreement with the experiment. Diffraction and magnetic measurements complement the study.

Keywords

• lifepo₄
• mössbauer spectroscopy
• antiferromagnetic order
• density functional theory