Pressure-induced volume collapse and structural phase transitions in SrRuO3

被引：9

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

来源：

JOURNAL OF SOLID STATE CHEMISTRY | 2013年 / 205卷

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

页码：177 / 182

页数：6

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