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arXiv:cond-mat/0503624 · Journal of Physics Condensed Matter

On the effect of a regularS= 1 dilution ofS= 1/2 antiferromagnetic Heisenberg chains obtained from quantum Monte Carlo simulations

Fengping Jin, Zhaoxin Xu, He-Ping Ying, Bo Zheng

Published Aug 25, 2005• 0 citations
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Abstract

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 $Δ\approx 1.25\sqrtρ$.

DOI
10.1088/0953-8984/17/36/010

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STUDY ON REGULAR DILUTIONS OF S=12S=\frac{1}{2}S=21​ IMPURITY IN S=1 CHAINS BY QUANTUM MONTE CARLO SIMULATIONS
Bond-dilution effects on the ground state of the square-lattice antiferromagnetic Heisenberg model, consisting of coupled bond-alternating chains, are investigated by means of the quantum Monte Carlo simulation. It is found that, when the ground state of the non-diluted system is a non-magnetic state with a finite spin gap, a sufficiently weak bond dilution induces a disordered state with a mid gap in the original spin gap, and under a further stronger bond dilution an antiferromagnetic long-range order emerges. While the site-dilution-induced long-range order is induced by an infinitesimal concentration of dilution, there exists a finite critical concentration in the case of bond dilution. We argue that this essential difference is due to the occurrence of two types of effective interactions between induced magnetic moments in the case of bond dilution, and that the antiferromagnetic long-range-ordered phase does not appear until the magnitudes of the two interactions become comparable.
Dilution effects on spin-1/2 quantum Heisenberg antiferromagnets with a non-magnetic spin-gapped ground state are studied by means of the quantum Monte Carlo simulation. In the site-diluted system, an antiferromagnetic long-range order (AF-LRO) is induced at an infinitesimal concentration of dilution due to an effective coupling ̃Jmn between induced magnetic moments. In the bond-diluted case, on the other hand, the AF-LRO is not induced up to a certain concentration of dilution due to singlet pairs reformed by an AF coupling ̃J af between the edge spins of the diluted bond through the two-dimensional shortest paths. The competition between ̃Jmn and ̃J af yields peculiar phenomena in the bond-diluted system.
The ground-state phase diagram of S=2S=2S=2 antiferromagnetic Heisenberg chains with coexisting uniform and alternating single-site anisotropies is investigated by the numerical exact diagonalization and density matrix renormalization group methods. We find the Haldane, large-DDD, Néel, period-doubled Néel, gapless spin fluid, quantized and partial ferrimagnetic phases. The Haldane phase is limited to the close neighborhood of the isotropic point. Within numerical accuracy, the transition from the gapless spin-fluid phase to the period-doubled Néel phase is a direct transition. Nevertheless, the presence of a narrow spin-gap phase between these two phases is suggested on the basis of the low-energy effective theory. The ferrimagnetic ground state is present in a wide parameter range. This suggests the realization of magnetized single-chain magnets with a uniform spin magnitude by controlling the environment of each magnetic ion without introducing ferromagnetic interactions.
Full magnetization curves of S=1 antiferromagnetic Heisenberg chains with periodic and open boundaries are investigated by a quantum Monte Carlo method. The boundary condition has a significant effect on the magnetization process especially in the field range where the Zeeman energy is less than the Haldane gap. The magnetization of the periodic chain in the range is strongly suppressed at low temperatures because the ground state is nonmagnetic. On the other hand, the magnetic ground of the open chain bring about finite magnetization. The difference between both the magnetization curves is also investigated in detail by subtracting the magnetization of the periodic chain with L spins from one of the open chains with L+1 spins. It agrees well with the double of the Brillouin function for S=1/2, rather than the Brillouun function for S=1.
Quantum phase transition of site-diluted and bond-diluted Heisenberg antiferromagnets on square lattices is studied. By using the novel continuous-time loop algorithm, we perform quantum Monte Carlo simulations on quite larger lattices at extremely lower temperatures than the previous numerical studies. It is found that the antiferromagnetic long-range order at T = 0 persists so long as a cluster of magnetic sites percolates, that is, the critical concentration is equal to the classical percolation threshold, in both of the site-diluted and bond-diluted cases. Furthermore, we find that some critical exponents, such as the magnetization exponent β, are non-classical and strongly depend on the spin size S. On the other hand, we show that the correlation-length exponent ν is universal and is equal to the classical value (ν=4/3).