Paper detail

On effects of regular S=1 dilution of S=1/2 antiferromagnetic Heisenberg chains by a quantum Monte Carlo simulation

The effects of regular S=1 dilution of S=1/2 isotropic antiferromagnetic chain are investigated by the quantum Monte Carlo loop/cluster algorithm. Our numerical results show that there are two kinds of ground-state phases which alternate with the variation of $S^1=1$ concentration. When the effective spin of a unit cell is half-integer, the ground state is ferrimagnetic with gapless energy spectrum and the magnetism becomes weaker with decreasing of the $S^1$ concentration $ρ= 1/M$. While it is integer, a non-magnetic ground state with gaped spectrum emerges and the gap gradually becomes narrowed as fitted by a relation of $Δ\approx 1.25\sqrtρ$.