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Theory of isotope effect in displacive ferroelectrics

机译:位移铁电体中的同位素效应理论

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The isotope exchange effect on the stability of the paraelectric phase and on the Curie temperature in displacive ferroelectrics is considered. It is shown that ferroelectric (FE) lattice instability induced by the isotope exchange is the anharmonic and quantum effect and the associated FE phase transition is the result of the suppression of the zero-point atomic motion due to the enhancement of atomic masses caused by the substitution of a heavy isotope for a light one. A criterion for the low-temperature isotopically induced ferroelectricity is formulated. It is found that only in quantum paraelectrics with nearly complete compensation of the harmonic contribution into FE sort mode frequency by the zero-point motion contribution this isotope effect may occur. The isotope effect in SrTi((O1-xOx)-O-16-O-18)(3) discovered recently is explained. The influence of 105 K antiferrodistortive phase transition in SrTiO3 on the FE isotope effect is discussed. It is shown that unlike SrTiO3 the stability of the paraelectric phase of KTaO3 is scarcely affected by oxygen isotope exchange. Thus, no ferroelectricity induced by such a mechanism must be observed in KTaO3. (C) 2001 Elsevier Science Ltd. All rights reserved. References: 27
机译:考虑了同位素交换对位移铁电体中顺电相稳定性和居里温度的影响。结果表明,同位素交换引起的铁电(FE)晶格不稳定性是非谐波和量子效应,而相关的有限元相变是由于重同位素取代轻同位素引起的原子质量增强而抑制零点原子运动的结果。制定了低温同位素诱导铁电性判据。研究发现,只有在量子顺电材料中,通过零点运动贡献几乎完全补偿了对有限元排序模式频率的谐波贡献,才可能发生这种同位素效应。解释了最近发现的SrTi((O1-xOx)-O-16-O-18)(3)中的同位素效应。讨论了SrTiO3中105 K反铁扭曲相变对FE同位素效应的影响。结果表明,与SrTiO3不同,KTaO3顺电相的稳定性几乎不受氧同位素交换的影响。因此,在 KTaO3 中不必观察到由这种机制诱导的铁电性。(C) 2001 Elsevier Science Ltd.保留所有权利。[参考文献: 27]

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