Wigner crystallization in transition metal dichalcogenides: A new approach to correlation energy

Abstract

We introduce a new approach for the correlation energy of one- and two-valley two-dimensional electron gas (2DEG) systems. Our approach is based on a random phase approximation at high densities and a classical approach at low densities, with interpolation between the two limits. This approach gives excellent agreement with available Quantum Monte Carlo (QMC) calculations. We employ the two-valley 2DEG model to describe the electron correlations in monolayer transition metal dichalcogenides (TMDs). The zero-temperature transition from a Fermi liquid to a quantum Wigner crystal phase in monolayer TMDs is obtained using density-functional theory within the local-density approximation. Consistent with QMC, we find that electrons crystallize at $r_s=30.5$ in one-valley 2DEG. For two-valleys, we predict Wigner crystallization at $r_s= 29.5$, indicating that valley degeneracy has little effect on the critical $r_s$, in contrast to an earlier claim.