The crystal structure of Rb_2Ti_2O_5

Rémi Federicci; Benoit Baptiste; Fabio Finocchi; Florin Popa; Luc Brohan; Keevin Béneut; Paola Giura; Gwena?lle Rousse; Armel Descamps-Mandine; Thierry Douillard; Abhay Shukla; Brigitte Leridon

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The crystal structure of Rb_2Ti_2O_5

机译：RB_2TI_2O_5的晶体结构

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Recent results have demonstrated an exceptionally high permittivity in the range 200-330 K in crystalline titanium oxide Rb_2Ti_2O_5. 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.

机译：最近的结果表明，在氧化钛RB_2TI_2O_5的晶钛氧化物RB_2TI_2O_5的范围内具有出色的高介质。在本文中，仔细检查了产生铁电性的结构转变的可能性。特别地，进行X射线衍射，高分辨率透射电子显微镜和拉曼光谱。显示晶体结构保持不变，在90 k和450k之间的所有温度下保持不变。C2 / M结构的稳定性通过密度函数理论计算确认。这些重要发现允许存在传统的铁电相转变，以作为在该材料中观察到的巨大介电常数和极化的可能机制。

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《Acta Crystallographica, Section B. Structural science, crystal engineering and materials》 |2017年第6期|共9页
作者
Rémi Federicci; Benoit Baptiste; Fabio Finocchi; Florin Popa; Luc Brohan; Keevin Béneut; Paola Giura; Gwena?lle Rousse; Armel Descamps-Mandine; Thierry Douillard; Abhay Shukla; Brigitte Leridon;
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作者单位

LPEM-ESPCI Paris PSL Research University CNRS Sorbonne Universités UPMC 10 rue Vauquelin F-75005 Paris France;

IMPMC Sorbonne Universités UPMC UMR 7590 CNRS 4 place Jussieu F-75005 Paris France;

INSP Sorbonne Universités UPMC CNRS 4 place Jussieu F-75005 Paris France;

Institut des Matériaux Jean Rouxel (IMN) Université de Nantes CNRS 2 rue de la Houssinière BP 32229 F-44322 Nantes Cedex 3 France;

Institut des Matériaux Jean Rouxel (IMN) Université de Nantes CNRS 2 rue de la Houssinière BP 32229 F-44322 Nantes Cedex 3 France;

IMPMC Sorbonne Universités UPMC UMR 7590 CNRS 4 place Jussieu F-75005 Paris France;

IMPMC Sorbonne Universités UPMC UMR 7590 CNRS 4 place Jussieu F-75005 Paris France;

UMR 8260 "Chimie du Solide et Energie" Collège de France Sorbonne Universités UPMC 11 Place Marcelin Berthelot 75231 Paris Cedex 05 France;

LPEM-ESPCI Paris PSL Research University CNRS Sorbonne Universités UPMC 10 rue Vauquelin F-75005 Paris France;

Université de Lyon INSA Lyon CNRS MATEIS UMR 5510 F-69621 Villeurbanne France;

IMPMC Sorbonne Universités UPMC UMR 7590 CNRS 4 place Jussieu F-75005 Paris France;

LPEM-ESPCI Paris PSL Research University CNRS Sorbonne Universités UPMC 10 rue Vauquelin F-75005 Paris France;

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正文语种 eng
中图分类晶体学;
关键词
Rb_2Ti_2O_5; C2/m; band structure;

机译：RB_2TI_2O_5;C2 / M;带结构;

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The crystal structure of Rb_2Ti_2O_5

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