Abstract
The concept of quantum phase transitions (QPTs) plays a central role in the description of condensed matter systems. In this Letter, we perform high-quality wave-function-based simulations to demonstrate the existence of a quantum phase transition in a crucially relevant molecular system, namely, water, forming linear chains of rotating molecules. We determine various critical exponents and reveal the water chain QPT to belong to the (1+1)-dimensional Ising universality class. Furthermore, the effect of breaking symmetries is examined, and it is shown that, by breaking the inversion symmetry, the ground state degeneracy of the ordered quantum phase is lifted to yield two many-body states with opposite polarization. The possibility of forming ferroelectric phases together with a thermal stability of the quantum critical regime up to ∼10 K makes the linear water chain a promising candidate as a platform for quantum devices.
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