Pressure-induced volume-collapsed tetragonal phase of CaFe₂As₂ as seen via neutron scattering

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A. Kreyssig,^1,2 M. A. Green,^3,4 Y. Lee,^1,2 G. D. Samolyuk,^1,2 P. Zajdel,^3,5 J. W. Lynn,³ S. L. Bud'ko,^1,2 M. S. Torikachvili,⁶ N. Ni,^1,2 S. Nandi,^1,2 J. B. Leão,³ S. J. Poulton,^3,4 D. N. Argyriou,⁷ B. N. Harmon,^1,2 R. J. McQueeney,^1,2 P. C. Canfield,^1,2 and A. I. Goldman^1,2
¹Ames Laboratory, US DOE, Ames, Iowa 50011, USA
²Department of Physics and Astronomy, Iowa State University, Ames, Iowa 50011, USA
³NIST Center for Neutron Research, National Institute of Standards and Technology, Gaithersburg, Maryland 20899, USA
⁴Department of Materials Science and Engineering, University of Maryland, College Park, Maryland 20742, USA
⁵Department of Chemistry, University College of London, 20 Gordon Street, London W1X 0AJ, United Kingdom
⁶Department of Physics, San Diego State University, San Diego, California 92182, USA
⁷Helmholtz-Zentrum Berlin für Materialien und Energie, Glienicker Str. 100, 14109 Berlin, Germany

Received 16 October 2008; revised 28 October 2008; published 24 November 2008

Recentinvestigations of the superconducting iron-arsenide families have highlighted the roleof pressure, be it chemical or mechanical, in fostering superconductivity.Here we report that CaFe₂As₂ undergoes a pressure-induced transition toa nonmagnetic volume “collapsed” tetragonal phase, which becomes superconducting atlower temperature. Spin-polarized total-energy calculations on the collapsed structure revealthat the magnetic Fe moment itself collapses, consistent with theabsence of magnetic order in neutron diffraction.

URL:	http://link.aps.org/doi/10.1103/PhysRevB.78.184517
DOI:	10.1103/PhysRevB.78.184517
PACS:	74.62.Fj; 61.50.Ks; 61.05.fm; 71.15.Nc 74.62.Fj Pressure effects on superconducting transition temperature 61.50.Ks Crystallographic aspects of phase transformations; pressure effects 61.05.fm Neutron diffraction (condensed matter structure determination) 71.15.Nc Total energy and cohesive energy calculations (condensed matter) YEAR: 2008
KEYWORDS:	arsenic alloys, calcium alloys, iron alloys, magnetic moments, neutron diffraction, superconductivity

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