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Pacheco-Sanjuan, Alejandro

Publications and source records attributed to Pacheco-Sanjuan, Alejandro.

Size-dependent ferroelectric-to-paraelectric sliding transformations and antipolar-to-ferroelectric topological phase transitions in binary homobilayers

The recent discovery of ferroelectric behavior in few-layer materials, accompanied by the observation of antipolar domains in hexagonal boron nitride and transition metal dichalcogenide moiré bilayers, is paving the way for revolutionary advancements in the generation and manipulation of intrinsic electric dipoles through stacking. In addition, these cutting-edge quantum materials are reshaping our comprehension of phase transitions. Within the present paper, we unveil a size-dependent sliding behavior that marks a significant departure from conventional ferroelectrics. We also shed light on thermally induced spontaneous hyperlubric sliding within moiré bilayers, which can be used as a signal to distinguish topological phase transitions from an antipolar onto a ferroelectric bilayer. Furthermore, our findings also suggest that the (topological) pinning of AA nodes in antipolar moiré homobilayers prevents the occurrence of an antipolar-to-paraelectric transformation.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Evolution of elastic moduli through a two-dimensional structural transformation

We use a classical analytical and separable elastic energy landscape describing SnO monolayers to estimate the softening of elastic moduli through a mechanical instability occurring at finite temperature in this material. Although not strictly applicable to this material due to its low-energy barrier J that leads to a quantum paraelastic phase, the present exercise is relevant as it establishes a conceptual procedure to estimate such moduli straight from a two-dimensional elastic energy landscape. As additional support for the existence of a quantum paraelastic phase, we carry a qualitative WKB analysis to estimate escape times from an individual well on the landscape; escape times increase exponentially with the height of the barrier J. We also provide arguments against an additional transformation onto a planar lattice due to its high-energy cost. These results continue to establish a case for the usefulness of soft matter concepts in two-dimensional materials, and of the potential lurking of quantum effects into soft matter.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Quantum Paraelastic Two-Dimensional Materials

We study the elastic energy landscape of two-dimensional tin oxide (SnO) monolayers and demonstrate a transition temperature of Tc=8.5±1.8K using ab initio molecular dynamics (MD) that is close to the value of the elastic energy barrier J derived from T=0K density functional theory calculations. The power spectra of the velocity autocorrelation throughout the MD evolution permit identifying soft phonon modes likely responsible for the structural transformation. The mean atomic displacements obtained from a Bose-Einstein occupation of the phonon modes suggest the existence of a quantum paraelastic phase that could be tuned with charge doping: SnO monolayers could be 2D quantum paraelastic materials with a charge-tunable quantum phase transition.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗