Simulations of magnetic and magnetoelastic properties of Tb2Ti2O7 in paramagnetic phase

TL;DR

This paper simulates the magnetic and magnetoelastic behavior of Tb2Ti2O7 in its paramagnetic phase, revealing how magnetic field and temperature influence its properties and predicting lattice softening at low temperatures.

Contribution

It introduces a detailed simulation framework for Tb2Ti2O7's properties using crystal field theory and mean field approximation, including new electron-deformation coupling constants.

Findings

Magnetization and magnetostriction depend on magnetic field and temperature.

Elastic constants vary with temperature and magnetic field.

Predicted lattice softening at liquid helium temperatures in magnetic field.

Abstract

Magnetic and magnetoelastic properties of terbium titanate pyrochlore in paramagnetic phase are simulated. The magnetic field and temperature dependences of magnetization and forced magnetostriction in Tb2Ti2O7 single crystals and polycrystalline samples are calculated in the framework of exchange charge model of crystal field theory and a mean field approximation. The set of electron-deformation coupling constants has been determined. Variations of elastic constants with temperature and applied magnetic field are discussed. Additional strong softening of the crystal lattice at liquid helium temperatures in the magnetic field directed along the rhombic symmetry axis is predicted.