Conclusion
It has been demonstrated that accurate occupational probabilities and first order static displacements can be obtained from diffuse scattering measurements. It is quite remarkable that species dependent atomic displacements on the order of 0.001Å and smaller can be determined from such broad features in the diffraction pattern. The availability of this information will provide theorists with the means to test their models and challenge them to include static displacements in their ab initio calculations of phase stability. In even more general terms, knowledge about the local atomic arrangements will help us to understand the connection between local structure and bulk properties.
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Robertson, J.L., Sparks, C.J., Ice, G.E., Jiang, X., Moss, S.C., Reinhard, L. (2002). Local Atomic Arrangements in Binary Solid Solutions Studied by X-Ray and Neutron Diffuse Scattering from Single Crystals. In: Billinge, S.J.L., Thorpe, M.F. (eds) Local Structure from Diffraction. Fundamental Materials Research. Springer, Boston, MA. https://doi.org/10.1007/0-306-47077-2_10
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