Anisotropy of the paramagnetic susceptibility in LaTiO$_{3}$: The electron-distribution picture in the ground state

TL;DR

This paper uses crystal-field theory and spin-orbit coupling to analyze the anisotropy of magnetic susceptibility in LaTiO$_{3}$, aligning theoretical predictions with experimental data and elucidating the electron distribution and quadrupole moments.

Contribution

It provides a detailed theoretical model of the electron distribution and magnetic anisotropy in LaTiO$_{3}$, matching experimental observations and refining understanding of its ground state.

Findings

Magnetic susceptibility anisotropy agrees with experiments

Charge distribution and quadrupole moments match NMR data

Low ordered magnetic moment discussed in context

Abstract

The energy-level scheme and wave functions of the titanium ions in LaTiO$_{3}$ are calculated using crystal-field theory and spin-orbit coupling. The theoretically derived temperature dependence and anisotropy of the magnetic susceptibility agree well with experimental data obtained in an untwinned single crystal. The refined fitting procedure reveals an almost isotropic molecular field and a temperature dependence of the van Vleck susceptibility. The charge distribution of the 3d--electron on the Ti positions and the principle values of the quadrupole moments are derived and agree with NMR data and recent measurements of orbital momentum $<l>$ and crystal-field splitting. The low value of the ordered moment in the antiferromagnetic phase is discussed.