- Letter
Quantum loops in the transition metal dichalcogenides
Phys. Rev. B 111, L020102 – Published 13 January, 2025
DOI: https://doi.org/10.1103/PhysRevB.111.L020102
Abstract
Loop arrangements and their quantum superpositions describe several interesting many-particle states. We propose that they also describe bonding in a class of transition metal dichalcogenides. We present an effective quantum loop model for monolayers with a structure and a valence electron configuration: materials of the form and . Their orbitals exhibit strongly directional overlaps between neighboring atoms, favoring the formation of valence bonds. A transition metal atom forms two valence bonds, each with one of its neighbors. When connected, these bonds form loops that cover the triangular lattice. We construct a minimal Rokhsar-Kivelson-like model with resonance processes that cut and reconnect loops that run in proximity. The resulting dynamics is more constrained than in traditional quantum dimer models, with a “bending” constraint that arises from orbital structure. In the resulting phase diagram, we find phases that resemble distorted phases seen in materials, viz., the and trimerized phases. As a testable prediction, we propose that a single or impurity will terminate a loop and give rise to a long-ranged texture. For example, a Ti/Cr defect in will produce one or more domain walls that propagate outward from the impurity. We discuss the possibility of a loop-liquid phase that can emerge in these materials.