Pressure induced phase transitions in multiferroic BiFeO3

被引：14

作者：

Mishra, A. K. ^{[1
]}

Shanavas, K. V. ^{[1
]}

Poswal, H. K. ^{[1
]}

Mandal, B. P. ^{[2
]}

Garg, Nandini ^{[1
]}

Sharma, Surinder M. ^{[1
]}

机构：

[1] Bhabha Atom Res Ctr, High Pressure & Synchrotron Radiat Phys Div, Bombay 400085, Maharashtra, India

[2] Bhabha Atom Res Ctr, Div Chem, Bombay 400085, Maharashtra, India

来源：

SOLID STATE COMMUNICATIONS | 2013年 / 154卷

关键词：

Multiferroic; High pressure; X-ray diffraction; First principles; CRYSTAL; TEMPERATURE;

D O I：

10.1016/j.ssc.2012.10.018

中图分类号：

O469 [凝聚态物理学];

学科分类号：

070205 ;

摘要：

Using synchrotron based angle dispersive x-ray diffraction measurements and first principles calculations we have studied the high pressure behavior of pervoskite BiFeO3. We report two structural phase transitions under pressure viz., at similar to 4.1 and similar to 6.4 GPa. Our first principles calculations, combined with Rietveld refinement of the diffraction data, suggest that both the high pressure phases are orthorhombic, the first being P222(1) and the second phase belonging to the space group Pnma. These results are in contrast to the previous studies such as the observation of monoclinic phase below 10 GPa. Theoretical structural optimization in the present case indicates the utility of incorporating the chemical bonding in Rietveld refinement of complex structures. (C) 2012 Elsevier Ltd. All rights reserved.

引用

页码：72 / 76

页数：5

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