Mott transition in the Hubbard model on anisotropic honeycomb lattice with implications for strained graphene: Gutzwiller variational study

Abstract

Modification of interatomic distances due to high pressure leads to exotic phenomena, including metallicity, superconductivity and magnetism, observed in materials not showing such properties in normal conditions. In two-dimensional crystals, such as graphene, atomic bond lengths can be modified by more that 10 percent by applying in-plane strain, i.e., without generating high pressure in the bulk. In this work, we study the strain-induced Mott transition on a honeycomb lattice by using computationally inexpensive techniques, including Gutzwiller Wave Function (GWF) and different variants of Gutzwiller Approximation (GA), obtaining the lower and upper bounds for critical Hubbard repulsion ($U$) of electrons. For uniaxial strain in the armchair direction the band gap is absent, and electron correlations play a dominant role. A significant reduction of the critical Hubbard $U$ is predicted. Model considerations are mapped onto tight-binding Hamiltonian for monolayer graphene by the auxiliary Su-Schrieffer-Heeger model for acoustic phonons, assuming zero stress in the direction perpendicular to the strain applied. Our results suggest that graphene, although staying in semimetallic phase even for extremely high uniaxial strains, may show measurable signatures of electron correlations, such as the band narrowing and the reduction of double occupancies.

Title changed, minor revisions, Refs. added. RevTeX; 11 pages; 7+1 figures

References in corpus (13)

• The electronic properties of graphene
• A tight-binding approach to uniaxial strain in graphene
• Absence of a Spin Liquid Phase in the Hubbard Model on the Honeycomb Lattice
• Two-dimensional Mott-Hubbard electrons in an artificial honeycomb lattice
• Experimental evidence of chiral symmetry breaking in Kekulé-ordered graphene
• Variational tensor network renormalization in imaginary time: benchmark results in the Hubbard model at finite temperature
• Finite temperature semimetal-insulator transition on the honeycomb lattice
• Semimetal-antiferromagnetic insulator transition in graphene induced by biaxial strain
• Disappearance of the Dirac cone in silicene due to the presence of an electric field
• Properties of an almost localized Fermi liquid in applied magnetic field revisited: Statistically consistent Gutzwiller approach
• The combined exact diagonalization - ab initio approach and its application to correlated electronic states and Mott-Hubbard localization in nanoscopic systems
• Edge magnetism in transition metal dichalcogenide nanoribbons: Mean field theory and determinant quantum Monte Carlo
• Metal-Insulator transition in strained Graphene: A quantum Monte carlo study

Cited by in corpus (3)

• Spin-polarized superconducting phase in semiconducting system with next-nearest-neighbor hopping on the honeycomb lattice
• Strain-induced Aharonov-Bohm effect at nanoscale and ground state of a carbon nanotube with zigzag edges
• Quantum transport of Dirac fermions in selected graphene nanosystems away from the charge-neutrality point