Do caracter da ligação hidrogenica nos ferroeletricos quanticos do tipo KDP

AUTOR(ES)
DATA DE PUBLICAÇÃO

1984

RESUMO

A study of the ferroelectric phase transition in KDP-type materials and PbHPO4 -PbDPO4 pairs was carried out using the framework of a simplified Hamiltonian to explain three physical quantities namely, the critical temperature, Tc, spontaneous electric polarization, PM, at zero 0ºK and the Curie constant, Cc near Tc. Unlike the De Gennes Hamiltonian, the Hamiltonian used has an explicit kinetic energy term, a local symmetric anharmonic potential energy term and a many-body term similar to a Heisenberg interaction. The complete analysis is done using the Molecular Field Approximation (MFA), which together with the chosen form of the local potential, allowed the inclusion of all of the energy levels of the local Hamiltonian that are necessary for the calculation of the statistical quantities used in the determination of the above quantities. Interesting results are obtained about the relative importance of quantum effects in the determination of Tc, PM and Cc for KDP-type materials as well as for the PhHPO4 - PbDPO4 pair. A comparison of the results of our model with that of Tokunaga and Matsubara(16) applied to the above materials, show that the first one describes more closely the experimental observations, though both models failed to account for them quantitatively. Several curves are obtained for the parameters Tc, PM and Cc using the potential function with barrier decreasing to dip. It is clear from the curves that the presence of the barrier favors the ferroelectric ordering and increases as the barrier increases, whereas the presence of the dip has the opposite effect. It has also been shown that there exists a region of values of amplitude, Vb, of dip for which the model predicts two phase transitions, namely one each of 1st and 2nd order. The value of the Tc for the first order phase transition is lower than the second order phase transition. The study of the quantum parameter gS in terms of the amplitude of the potential dip reveals a decrease in its value as the amplitude is increased

ASSUNTO(S)

relatividade (fisica) teoria quantica de campos cristais ferroeletricos

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