Ambient- and low-temperature synchrotron x-ray diffraction study of BaFe2As2 and CaFe2As2 at high pressures up to 56 GPa

Mittal, R.; Chaplot, S. L.; Garbarino, G.; Ovsyannikov, S. V.; Trots, D. M.; Brückel, T.; Hosono, H.; Dubrovinsky, L.; Mishra, S. K.; Matsuishi, S.; Su, Y.; Greenberg, E.

doi:10.1103/PhysRevB.83.054503

Journal Article

Ambient- and low-temperature synchrotron x-ray diffraction study of BaFe2As2 and CaFe2As2 at high pressures up to 56 GPa

Mittal, R. ; Mishra, S. K. ; Chaplot, S. L. ; Ovsyannikov, S. V. ; Greenberg, E. ; Trots, D. M. ; Dubrovinsky, L. ; Su, Y.FZJ* ; Brückel, T.FZJ* ; Matsuishi, S. ; Hosono, H. ; Garbarino, G.

2011
APS College Park, Md.

Physical review / B 83(5), 054503 (2011) [10.1103/PhysRevB.83.054503]

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Please use a persistent id in citations: http://hdl.handle.net/2128/10947 doi:10.1103/PhysRevB.83.054503

Abstract: We report on high-pressure powder synchrotron x-ray diffraction studies on MFe2As2 (M = Ba, Ca) over a range of temperatures and pressures up to about 56 GPa using a membrane diamond-anvil cell. Our data indicate a phase transition to a collapsed tetragonal phase in both compounds upon compression. The data at 300 K are measured in both pressure-increasing and -decreasing cycles. Our measurements show that at 300 K in the Ba compound, the transition occurs at 27 GPa, which is much higher than the transition pressure of 1.7 GPa in the Ca compound. At low temperature, we could obtain data only in the pressure-increasing cycle, therefore a precise transition pressure is not identified. At a low temperature of 33 K, the transition to the tetragonal phase in the Ba compound starts, upon compression, at about 29 GPa, which is much higher than the transition pressure of 0.3 GPa at 40 K as known in the case of the Ca compound. The much higher transition pressure in the Ba compound may be due to its larger unit-cell volume at ambient pressure. It is important to note that the transition in both compounds occurs when they are compressed to almost the same value of the unit-cell volume and attain similar c(t)/a(t) ratios. We also show that the FeAs4 tetrahedra are much less compressible and more distorted in the collapsed tetragonal phase than their nearly regular shape in the ambient pressure phase. We present a detailed analysis of the pressure dependence of the structures as well as equations of state in these important BaFe2As2 and CaFe2As2 compounds.

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Physics, Condensed Matter

Note: R.M. and S.K.M. thank the Department of Science and Technology (DST), India for providing financial support to carry out synchrotron x-ray diffraction at European Synchrotron Radiation Facility, Grenoble, France. We thank M. Hanfland and W. Crichton for loading the helium into the cells for our measurements carried out at ESRF.

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Appears in the scientific report 2011

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