Measurement of the 3-D Born-Oppenheimer Potential of a Proton in a Hydrogen Bonded System using Deep Inelastic Neutron Scattering: The Superprotonic Conductor Rb3H(SO4)2

Abstract

Born-Oppenheimer (BO) potential in any material. The proton potential surfaces in the hydrogen bonded superprotonic conductor Rb3H(SO4)2 are extracted from the momentum distribution measured using Deep Inelastic Neutron Scattering(DINS). The potential has a single minimum along the bond direction, which accounts for the absence of the antiferroelectric transition seen in the deuterated material, and a saddle point off the bond direction for tunneling into the next well with a barrier height of 350 meV. The measured potential is in qualitative agreement with phenomenological double Morse potentials that have been used to describe hydrogen bonds in other systems.