Nonlocal protons and deuterons opposed to disorder: a single-crystal neutron diffraction study of KH0.76D0.24CO3 and a theoretical framewok

Details Nonlocal protons and deuterons opposed to disorder: a single-crystal neutron diffraction study of KH0.76D0.24CO3 and a theoretical framewok Nonlocal protons and deuterons opposed to disorder: a single-crystal neutron diffraction study of KH0.76D0.24CO3 and a theoretical framewok

2008-07-09

arxiv.org/abs/0807.1388v1

Journal of Physics Condensed Matter 20 (2008) 252202

Physics

Condensed Matter

Other Condensed Matter

Scientific paper

10.1088/0953-8984/02/25/252202

We show with neutron diffraction that a single-crystal of potassium hydrogen deuterium carbonate at room temperature, namely KH$_{0.76}$D$_{0.24}$CO$_3$, is isomorphous with the KHCO$_3$ and KDCO$_3$ derivatives. Protons and deuterons are not disordered particles located at definite sites and Bragg peaks are best fitted with separate H and D sublattices. We propose a theoretical framework for nonlocal observables and macroscopic states compatible with the crystal field.

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