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細川 伸也*; 川北 至信; Pusztai, L.*; 池田 一貴*; 大友 季哉*
Journal of the Physical Society of Japan, 90(2), p.024601_1 - 024601_12, 2021/02
被引用回数:2 パーセンタイル:21.70(Physics, Multidisciplinary)In order to improve the reliability of short- and intermediate-range atomic structures of GeSe
glasses, high quality neutron diffraction data, in both the real and reciprocal spaces, were added to the existing anomalous X-ray scattering and X-ray diffraction datasets [Hosokawa et al., Phys. Rev. B 84, 014201 (2011)] for reverse Monte Carlo modeling. This addition proved to be highly effective for obtaining well-refined structural data and for revealing a close relationship between the compositional stiffness transition occurring at about
= 0.20-0.26 and the partial structures. Although the
and
functions gradually change with varying
, important indications on the stiffness transition are confirmed on the basis of the intermediate-range element-selective atomic structures (
) more clearly than it was possible by previous results. An abrupt decrease in terms of the the prepeak intensity of
, a rapid disappearance of the Ge-Ge homopolar bonds, anomalies in the ratio of edge- and corner-sharing Ge(Se
)
tetrahedra, and characteristic changes in the tetrahedral connections with decreasing X across the so-called intermediate phase have all been observed.