Formation of ammonia-helium compounds at high pressure

Uranus and Neptune are generally assumed to have helium only in their gaseous atmospheres. Here, we report the possibility of helium being fixed in the upper mantles of these planets in the form of NH₃-He compounds. Structure predictions reveal two energetically stable NH₃-He compounds with stoichiometries (NH₃)₂He and NH₃He at high pressures. At low temperatures, (NH₃)₂He is ionic with NH₃ molecules partially dissociating into (NH₂)^- and (NH₄)⁺ ions. Simulations show that (NH₃)₂He transforms into intermediate phase at 100 GPa and 1000 K with H atoms slightly vibrate around N atoms, and then to a superionic phase at  ~2000 K with H and He exhibiting liquid behavior within the fixed N sublattice. Finally, (NH₃)₂He becomes a fluid phase at temperatures of 3000 K. The stability of (NH₃)₂He at high pressure and temperature could contribute to update models of the interiors of Uranus and Neptune.