Toward the theoretically observable limit of electron density distribution by single-crystal synchrotron X-ray diffraction: The case of orbitally ordered Ti-3d^1 in YTiO_3

Terutoshi Sakakura, Yoshihisa Ishikawa, Shunji Kishimoto +9

The theoretically observable limit of electron density distribution by single-crystal X-ray diffraction is discussed. When F_{orb} and δF are defined as, respectively, the partial…