Related papers: Quantum Monte Carlo Study of Semiconductor Artific…
We take advantage of recent improvements in the grand canonical Hybrid Monte Carlo (HMC) algorithm, to perform a precision study of the single-particle gap in the hexagonal Hubbard model, with on-site electron-electron interactions. After…
We use a partially Gutzwiller projected BCS d-wave wavefunction with an antiferromagentic weighting factor to study the ground state phase diagram of a half filled Hubbard-Heisenberg model in a square lattice with nearest neighbor hopping…
Electronic structure of the manganese oxide solid is studied by the quantum Monte Carlo (QMC) methods. The trial wavefunctions are built using orbitals from unrestricted Hartree-Fock and Density Functional Theory, and the electron-electron…
The paper discusses the influence of the external in-plane electric and magnetic field on the ground state spin phase diagram of selected monolayer graphene nanostructures. The calculations are performed for triangular graphene nanoflakes…
We present calculations of electronic and magnetic structures of vanadium-benzene multidecker clusters V$_{n}$Bz$_{n+1}$ ($n$ = 1 - 3) using advanced quantum Monte Carlo methods. These and related systems have been identified as prospective…
The antiferromagnetic Heisenberg model on a pyrochlore lattice under external magnetic field is studied by classical Monte Carlo simulation. The model includes bilinear and biquadratic interactions; the latter effectively describes the…
Spin crossover molecules have recently emerged as a family of compounds potentially useful for implementing molecular spintronics devices. The calculations of the electronic properties of such molecules is a formidable theoretical challenge…
We investigate the new quantum phases on the extended Kane-Mele-Hubbard model of honeycomb lattice in the Hofstadter regime. In this regime, orbital motion of the electrons can induce various topological phases with spontaneously broken…
We report on Monte Carlo studies of the kinetic exchange model for (III,Mn)V ferromagnetic semiconductors in which S=5/2 local moments, representing Mn^{2+} ions, are exchange coupled to band electrons. We treat the Mn^{2+}$ spin…
The precise role of e-ph coupling in graphene and related materials on a honeycomb lattice is not yet fully understood, despite extensive research on these systems. Here, we perform sign-problem-free determinant quantum Monte Carlo (DQMC)…
The three-dimensional anisotropic classical XY ferromagnet has been investigated by extensive Monte Carlo simulation using the Metropolis single spin flip algorithm. The magnetization ($M$) and the susceptibility ($\chi$) are measured and…
We study the superconducting Kosterlitz-Thouless transition of the attractive Hubbard model on a two-dimensional triangular lattice using auxiliary field quantum Monte Carlo method for system sizes up to $12\times 12$ sites. Combining three…
Motivated by recent experimental breakthroughs, we propose a strategy to design two-dimensional spin lattices with competing interactions that lead to non-trivial emergent quantum states. We consider $S=1/2$ nanographenes with $C_3$…
Effects of randomness on the spin-1/2 and 1 antiferromagnetic Heisenberg chains are studied using the quantum Monte Carlo method with the continuous-time loop algorithm. We precisely calculated the uniform susceptibility, string order…
The antiferromagnetic Ising model on the pyrochlore lattice exhibits a quantum phase transition in an applied transverse field from the low-field quantum spin-ice phase to the high-field polarized regime. Recent field-theoretical analysis…
In the study of strongly-correlated, many-electron systems, the Hubbard Kanamori (HK) model has emerged as one of the prototypes for transition metal oxide physics. The model is multi-band in nature and contains Hund's coupling terms, which…
We present results from Monte Carlo simulations of a three dimensional fermionic field theory which can be derived from a model of graphene in which electrons interact via a screened Coulomb potential. For our simulations we employ lattice…
We use a novel Monte Carlo method to study the Mott transition in an anisotropic triangular lattice. The real space approach, retaining extended spatial correlations, allows an accurate treatment of non trivial magnetic fluctuations in this…
The quantum spin liquid is an enigmatic quantum state in insulating magnets, in which conventional long-range order is suppressed by strong quantum fluctuations. Recently, an unconventional phase transition was reported between the…
The growing skill in the synthesis processes of new materials has intensified the interest in exploring the properties of systems modeled by more complex lattices. Two-dimensional super-honeycomb lattices, have been investigated in metallic…