Spin density in YTiO 3 : II. Momentum-space representation of electron spin density supported by position-space results

Unpaired electrons in YTiO 3 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 t 2g 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 O 1 in the ferromagnetic coupling between Ti and its neighboring atoms.