Spin density in YTiO3: II. Momentum-space representation of electron spin density supported by position-space results

Unpaired electrons in YTiO3 ferromagnetic crystal (below 30 K) were studied by polarized neutron diffraction (PND) and incoherent x-ray magnetic Compton scattering (MCS). These experiments provide both position and momentum representations of the electrons at the origin of the magnetic behavior, mostly those in the t2g state of Ti atoms. A two-dimensional reconstruction was conducted from experimental and theoretical directional magnetic Compton profiles to obtain the two-dimensional magnetic electron momentum density. A “superposition” method is proposed to examine the coherence between results for position and momentum spaces, respectively. This model-free approach allows a straightforward cross-checking of PND and MCS experiments. An “isolated Ti model” is proposed to emphasize the role played by O1 in the ferromagnetic coupling between Ti and its neighboring atoms.