Structural, hyperfine and Raman properties of RE2FeSbO7 compounds

Experimentally and Theoretically Revealing the Co-Doping Effects of Ce–Sr in Gd2Zr2O7

“…The GULP code was used to calculate the vibrational properties of Gd 2 Zr 2 O 7 pyrochlores. , The interatom interaction can be described by the Buckingham potential: where r ij is the distance between atoms i and j , Z i and Z j are the effective charges of atoms i and j , respectively, and A ij , ρ ij , and C ij are the parameters of atom i – atom j interaction. According to group theory, Gd 2 Zr 2 O 7 pyrochlores with the Fd 3̅ m space group have the following phonon modes at the Γ point: where A 1g , E g , and 4F 2g are Raman-active and seven F 1u are infrared-active.…”