Dm. Zhang et al., BATIO3 CRYSTAL-STRUCTURE PHASE-TRANSITION CAUSED BY THE JAHN-TELLER EFFECT AND THE MODEL OF LIKE-HYDROGEN MOLECULE-ION (H-2(+)), Physica status solidi. b, Basic research, 197(1), 1996, pp. 31-38
By utilizing the Jahn-Teller effect. we discuss the structural phase t
ransition of BaTiO3 crystals. By taking into account the simple model
of the like-hydrogen molecule-ion (H-2(+)) and the effective point cha
rge, are compute the structural paraelectrical-ferroelectrical phase t
ransition temperature T-c of BaTiO3. The theoretical value obtained is
in good agreement with the experimental results.