Abstract:
The high-pressure behaviour of PbS was investigated by angular dispersive X-ray powder diffraction up to pressures of 6.8 GPa. Experiments were accompanied by first principles calculations at the density functional theory level. By combining both methods reliable data for the elastic properties of rock-salt type α- and high-pressure β-PbS could be obtained. β-PbS could be determined to crystallise in the CrB-type (B33), with space group Cmcm. The reversible ferro-elastic α/β transition is of first order. It is accompanied by a large volume discontinuity of about 5% and a coexistence region of the two phases. A gliding mechanism of {001} bilayers along one of the cubic 〈110〉 directions governs the phase transition which can be described in terms of group/subgroup relationships via a common subgroup, despite its reconstructive character. The quadrupling of the primitive unit cell indicates a wave vector (0, 0,π/ a ) on the Δ-line of the Brillouin zone.
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Received 11 October 2002 Published online 14 February 2003
RID="a"
ID="a"Also at: Institute of Physics of the Czech Academy of Sciences, Cukrovarnicka 10, 16253 Praha 6, Czech Republic e-mail: knorr@min.uni-kiel.de
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ID="b"Present address: University of Cambridge, Cavendish Laboratory (TCM), Madingley Road, Cambridge CB3 0HE, UK
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ID="c"Present address: Johann-Wolfgang Goethe Universität, Mineralogisches Institut, Kristallographie, Senckenberganlage 30, D 60054 Frankfurt a.M., Germany
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Knorr, K., Ehm, L., Hytha, M. et al. The high-pressure α/β phase transition in lead sulphide (PbS) . Eur. Phys. J. B 31, 297–303 (2003). https://doi.org/10.1140/epjb/e2003-00034-6
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DOI: https://doi.org/10.1140/epjb/e2003-00034-6