Pressure-induced volume collapse and structural phase transitions in SrRuO3

被引:10
作者
Zhernenkov, Mikhail [1 ]
Fabbris, Gilberto [1 ,2 ]
Chmaissem, Omar [3 ,4 ]
Mitchell, J. F. [4 ]
Zheng, H. [4 ]
Haskel, Daniel [1 ]
机构
[1] Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA
[2] Washington Univ, Dept Phys, St Louis, MO 63130 USA
[3] No Illinois Univ, Dept Phys, De Kalb, IL 60115 USA
[4] Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA
基金
美国国家科学基金会;
关键词
Pv-to-pPv transition; High pressure; X-ray diffraction; Volume collapse; SrRuO3; QUANTUM CRITICALITY; SINGLE-CRYSTAL; PEROVSKITES; BEHAVIOR;
D O I
10.1016/j.jssc.2013.07.002
中图分类号
O61 [无机化学];
学科分类号
070301 ; 081704 ;
摘要
We report on the low temperature (6 K) structural properties of SrRuO3 under quasi-hydrostatic pressure studied by synchrotron X-ray powder diffraction in a diamond anvil cell. First principle calculations predict a first-order perovskite (N) to post-perovskite (pPv) phase transition at similar to 40 GPa accompanied by a 1.9% volume collapse. Our results rule out the occurrence of a pPv phase to 54 GPa. Instead, we find a Pv to monoclinic to triclinic sequence of phase transitions. The monoclinic to triclinic phase transition at similar to 38 GPa is accompanied by a 3.5% volume collapse. X-ray absorption spectroscopy indicates that this volume collapse is not accompanied by a change in Ru valence state. Our results should help guide improvements to theoretical treatments of this and other correlated d-electron systems based on density functional theory. (c) 2013 Elsevier Inc. All rights reserved.
引用
收藏
页码:177 / 182
页数:6
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