Related papers: Quantum Monte Carlo study of artificial triangular…
We systematically study emergent Kondo lattice models from magic-angle twisted bilayer graphene using the topological heavy fermion representation. At the commensurate fillings, we demonstrate a series of symmetric strongly correlated…
Describing correlated electron systems near phase transitions has been a major challenge in computational condensed-matter physics. In this paper, we apply highly accurate fixed node quantum Monte Carlo techniques, which directly work with…
We develop a hybrid Monte Carlo method to efficiently compute the physical observables from the samplings of the Laughlin and the Moore-Read wave functions of fractional quantum Hall (FQH) systems. With the advancements in methodology,…
Spin-polarized density functional theory calculations have been performed on armchair graphene quantum dots and boron-nitride quantum dots (A-G/BN-QDs) and the effect of carbon/boron-nitride substitution on the electronic properties of…
Magnetic confinement in graphene has been of recent and growing interest because its potential applications in nanotechnology. In particular, the observation of the so called magnetic edge states in graphene has opened the possibility to…
The electric-field effect on the electronic and magnetic properties of triangular and hexagonal graphene quantum rings with zigzag edge termination is investigated by means of the single-band tight-binding Hamiltonian and the mean-field…
Magic angle twisted bilayer graphene (MATBG) presents a fascinating platform for investigating the effects of electron interactions in topological flat bands. The Bistritzer-MacDonald (BM) model provides a simplified quantitative…
We use Quantum Monte Carlo simulations and exact diagonalization to explore the phase diagram of the Bose-Hubbard model with an additional superlattice potential. We first analyze the properties of superfluid and insulating phases present…
Recently, transition metal dichalcogenides (TMDCs) semiconductors have been utilized for investigating quantum phenomena because of their unique band structures and novel electronic properties. In a quantum dot (QD), electrons are confined…
We present different numerical calculations based on variational quantum Monte Carlo simulations supporting a ferromagnetic ground-state for finite and small hole densities in the two-dimensional infinite-$U$ Hubbard model. Moreover, by…
We theoretically investigate the electronic and magneto-optical properties of rectangular, hexangular, and triangular monolayer phosphorene quantum dots (MPQDs) utilizing the tight-binding method. The electronic states, density of states,…
In this work, results are presented of Hybrid-Monte-Carlo simulations of the tight-binding Hamiltonian of graphene, coupled to an instantaneous long-range two-body potential which is modeled by a Hubbard-Stratonovich auxiliary field. We…
The fascinating quantum many-body states in twisted bilayber graphene (TBG) at magic angle, due to the interplay of Coulomb interactions and the quantum metrics of flat bands, have been well understood both experimentally and theoretically.…
We investigate the in-plane oscillations of the relaxed shape graphene due to externally applied tensile edge stress along both the armchair and zigzag directions. We show that the total elastic energy density is enhanced with temperature…
Application of a perpendicular magnetic field to charge neutral graphene is expected to result in a variety of broken symmetry phases, including antiferromagnetic, canted and ferromagnetic. All these phases open a gap in bulk but have very…
We employ a large-scale, unbiased constrained-path quantum Monte Carlo method to systematically simulate the effective two-orbital Hubbard model for twisted bilayer graphene in order to gain deeper insight into the relationship between…
In this paper, we perform a systematic study on the electronic, magnetic, and transport properties of the hexagonal graphene quantum dots (GQDs) with armchair edges in the presence of a charged impurity using two different configurations:…
We study the nature of edge states in extrinsically and spontaneously dimerized states of two-dimensional spin-1/2 antiferromagnets, by performing quantum Monte Carlo simulation. We show that a gapless edge mode emerges in the wide region…
Using finite-temperature determinantal quantum Monte Carlo simulations, we examine the thermodynamic properties of the extended Hubbard model on the half-filled square lattice in the Slater regime at intermediate coupling. We consider both…
Graphene quantum dots (GQDs) are nanoscale structures of graphene with quantum properties and edge effects that give photoluminescence properties. The effect of quantum confinement and differences in the nature of GQD structure makes its…