Liu, J, Cui, X-Y, Georgiev, P A, Morrison, I, Ross, DK, Roberts, M, Anderson, KA, Telling, M and Fort, D
'Effect of H on the crystalline and magnetic structures of the Y-Co3 H(D) system. II YCo-H(D) from X-ray and neutron powder diffraction'
, Physical Review B, 76 (1)
, pp. 184444-1.
The crystalline and magnetic structures of the YCo3
-H(D) system have been investigated by means of x-ray
and neutron diffraction with the objective of understanding the complex magnetic changes that are observed in
this system as hydrogen is added. Synchrotron x-ray diffraction (XRD) patterns were ﬁrst reﬁned to yield the
lattice parameters and coordination of Y and Co atoms in the metal and two B-hydride phases while XRD was
used for the y phase. In situ neutron powder diffraction measurements of YCo3Dx were then made in all four
phases to determine the deuterium site occupancies and magnetic structures. The site occupancies were also
rationalized using the Westlake geometric model. The highest hydrogen concentration measured was
. Using the Westlake model, we conclude that the saturated hydrogen content would be YCo3H5
results reported here and in Part I (Phys. Rev. B 76, 184443 (2007)) have enabled us to rationalize the changes
in the magnetic structures in terms of changes in the cobalt-cobalt distance caused by the addition of hydrogen.
In particular, in the antiferromagnetic y phase, we observe Co atomic displacements that enable the structure
to adopt a particular antiferromagnetic structure in a manner that is reminiscent of a Peierls distortion as
observed in transitions from the conducting to nonconducting hydrides on addition of hydrogen in YH3.
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