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arXiv 0706.3261cond-mat.stat-mechcond-mat.mtrl-sci
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BaTiO_3的Landau热力学势

Landau thermodynamic potential for BaTiO_3

Y. L. Wang, A. K. Tagantsev, D. Damjanovic, N. Setter, V. K. Yarmarkin, A. I. Sokolov, I. A. Lukyanchuk

摘要:

本文用朗道热力学势描述BaTiO_3单晶的介电和铁电性质。我们的研究结果表明,当使用六次方自由能展开的热力学势,四次方系数,β(P^4_i项的系数)显着不同的值,需要充分再现顺电相和电场诱导的铁电相的非线性介电行为,分别。相比之下,具有一组共同系数的八次幂展开使得能够同时对两个相位进行良好的描述。这些特征和文献中的数据有力地证明了BaTiO_3朗道热力学势中八次幂项的必要性。此外,四次幂系数β和ε(P^2_i P^2_j项的系数)由顺电相中沿[001]、[011]和[111]取向的非线性介电响应计算。在T_C以上,两个系数都表现出明显的温度依赖性。对四畴相单畴晶体的线性介电响应的进一步分析表明,与温度相关的非谐系数也是描述铁电相介电行为所必需的。因此,八次方热力学势,与一些非谐系数的温度依赖性,提出并与现有的潜力。在一般情况下,在这项工作中提出的潜力表现出更高的质量再现这种原型铁电物质的介电和铁电性能。

英文摘要:

In the paper, the description of the dielectric and ferroelectric properties of BaTiO_3 single crystals using Landau thermodynamic potential is addressed. Our results suggest that when using the sixth-power free energy expansion of the thermodynamic potential, remarkably different values of the fourth-power coefficient, β(the coefficient of P^4_i terms), are required to adequately reproduce the nonlinear dielectric behavior of the paraelectric phase and the electric field induced ferroelectric phase, respectively. In contrast, the eighth-power expansion with a common set of coefficients enables a good description for both phases at the same time. These features, together with the data available in literature, strongly attest to the necessity of the eighth-power terms in Landau thermodynamic potential of BaTiO_3. In addition, the fourth-power coefficients, βand ξ(the coefficient of P^2_i P^2_j terms), were evaluated from the nonlinear dielectric responses along [001], [011], and [111] orientations in the paraelectric phase. Appreciable temperature dependence was evidenced for both coefficients above T_C. Further analysis on the linear dielectric response of the single domain crystal in the tetragonal phase demonstrated that temperature dependent anharmonic coefficients are also necessary for an adequate description of the dielectric behavior in the ferroelectric phase. As a consequence, an eighth-power thermodynamic potential, with some of the anharmonic coefficients being temperature dependent, was proposed and compared with the existing potentials. In general, the potential proposed in this work exhibits a higher quality in reproducing the dielectric and ferroelectric properties of this prototypic ferroelectric substance.

机构、总结、中文摘要均由AI分析而来,可能存在错误,请以论文正文为准。

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