High Pressure Research, Volume 29, Issue 1, 2009, included the article (pp. 83–86):
‘High-pressure structural behaviour of the double perovskite Sr2CrReO6: an experimental and theoretical study’, by J. Staun Olsen, L. Gerward, G. Vaitheeswaran, V. Kanchana and L. Alff.
Since publication, the authors have identified a number of errors in the article. Taylor & Francis are pleased to be able to correct the record herewith.
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1. Page 84, lines 22–27 should read;
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3. Theoretical calculations
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Density-functional calculations were performed using the full-potential projector augmented wave (PAW) method [14 , as implemented in the Vienna ab initio simulation package (VASP) [15]. In this approach the valence orbitals are expanded as plane waves, and the interaction between the core and valence electrons are described by pseudopotentials. The calculations were performed within the generalized gradient approximation (GGA) for the exchange and correlation potential [16]. A plane wave cut-off of 400 eV was used throughout the calculations. Total energy calculations were performed for 84 K-points in the irreducible wedge of the Brillouin zone.
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2. Page 86, reference (3) reads “Sr2CrReO6.” The text should read “Sr2CrOsO6”.
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3. Page 86, reference (6) reads “G. Vaitheeswaran and V. Kanchana” The text should read “G. Vaitheeswaran, V. Kanchana, and A. Delin”.
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4. Page 86, reference (7) reads “[{\ldots} study of Sr2CrReO6” The text should read “[\ldots] study of Re 5d magnetism in Sr2CrReO6”.
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5. The following references should be added to the text:
[14] P. Blöchl, Projected augmented-wave method, Phys. Rev. B 50 (1994), pp. 17953–17979.
[15] G. Kresse and J. Hafner, Ab initio molecular dynamics for liquid metals, Phys. Rev. B 47 (1993), pp. 558–561; G. Kresse and J. Hafner, Ab initio molecular-dynamics simulation of the liquid-metal–amorphous-semiconductor transition in germanium, Phys. Rev. B 49 (1994), pp. 14251–14269; G. Kresse and J. Furthmüller, Efficiency of ab initio total energy calculations for metals and semiconductors using a plane-wave basis set, Comput. Mater. Sci. 6 (1996), pp. 15–50.
[16] J.P. Perdew, K. Burke, and M. Ernzerhof, Generalized gradient approximation made simple, Phys. Rev. Lett. 77 (1996), pp. 3865–3868.