A physical explanation of the ground state crossover in the H⊗h Jahn–Teller effect

Abstract

By comparison with other systems, vibronic coupling between an h-type vibration and an H-type electronic level in a H⊗h Jahn–Teller system would be expected to result in a vibronic H-type ground state. However, it is already known that an A state can cross over the H state at a given coupling strength and become the ground state if the ground adiabatic potential energy surface contains minima of D3d symmetry. This is an unusual property of the H⊗h Jahn–Teller system. In this article, the physics behind the crossover is analyzed in terms of competition between tunneling paths between D3d wells of C1 and C2 symmetries. The H⊗h Jahn–Teller system is relevant to some fullerenes and other icosahedral complexes.