The crystal structure of Rb2Ti2O5

R. Federicci, B. Baptiste, F.Finocchi, A. Popa, L. Brohan, K. Béneut, P. Giura, G. Rousse, A. Descamps‐Mandine, T. Douillard, A. Shukla, B. Léridon
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引用次数: 5

Abstract

Recent results have demonstrated an exceptionally high permittivity in the range 200–330 K in crystalline titanium oxide Rb2Ti2O5. In this article, the possibility of a structural transition giving rise to ferroelectricity is carefully inspected. In particular, X-ray diffraction, high-resolution transmission electron microscopy and Raman spectroscopy are performed. The crystal structure is shown to remain invariant and centrosymmetric at all temperatures between 90 K and 450 K. The stability of the C2/m structure is confirmed by density functional theory calculations. These important findings allow the existence of a conventional ferroelectric phase transition to be ruled out as a possible mechanism for the colossal permittivity and polarization observed in this material.
Rb2Ti2O5的晶体结构
最近的研究结果表明,晶体氧化钛Rb2Ti2O5在200-330 K范围内具有异常高的介电常数。在这篇文章中,结构转变引起铁电的可能性被仔细地检查。特别是,x射线衍射,高分辨率透射电子显微镜和拉曼光谱进行。在90k至450k的温度范围内,晶体结构保持不变和中心对称。通过密度泛函理论计算证实了C2/m结构的稳定性。这些重要的发现使得传统铁电相变的存在被排除为在这种材料中观察到的巨大介电常数和极化的可能机制。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
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