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Calculated and experimental temperature dependences of the equivalent cubic cell lattice constant in the perovskite manganites (025), (050) reported by Radaelli et al. (Ref. 6) and (020), (030) reported by Hibble et al. (Ref. 10).
Effective ion radius (Å) and related radius sum (ion, ) (Å) for the given number of nearest-neighbors.
Parameters used in fitting the temperature dependence of the equivalent cubic cell lattice constant for the manganites . The parameters , , and are the coefficient for adjusting the powers ratio in the Pauli repulsion term, the DE energy coefficient, and the thermal activation energy for SPs, respectively. The Curie temperature , Debye temperature and Madelung constant are also listed in the Table.
Energies (eV) corresponding to the minimum average free energy per equivalent cubic cell for the manganite . Here is the ionic Coulomb energy, and are the additional energies produced by DE carriers and the thermal activation small polarons, respectively, is the Pauli repulsion energy, and is free energy corresponding to the thermal vibration of the crystal lattice.
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