pdf, 9 MiB - Infoscience - EPFL
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6.13. CONCLUSION 171<br />
0.15<br />
C ij<br />
=<br />
0.10<br />
0.05<br />
0.00<br />
0.0<br />
0.2<br />
0.4<br />
0.6<br />
V 2<br />
Figure 6.22: Lanczos calculations of the current-current correlations for the two<br />
most distant links in a 8 copper lattice with 10 holes (Si<br />
z = 0). The correlations<br />
of the current operator increase strongly with V 2 .<br />
By applying the variational Monte Carlo procedure to the extended Hamiltonian<br />
containing both the parameters of the usual three-band Hubbard Hamiltonian<br />
and the correlated hopping term V 2 , we find a clear enhancement of the<br />
orbital currents when V 2 > 0.4. The currents become large when the doping is<br />
close to x ≈ 0.12. In the VMC frame, we find that the symmetry of the charge<br />
currents is still θ 2 like (Fig. 6.24). The current-current correlations in a small 8<br />
copper cluster were also calculated, and we find very strong correlations, though<br />
the symmetry in the small cluster is θ 1 like (see Fig. 6.22 and Fig. 6.24). The<br />
change of the orbital current pattern between the small 8 copper lattice and larger<br />
lattice suggests that the finite-size effects are too strong on cluster as small as<br />
8 coppers. Although it is difficult to extract a well defined current value in the<br />
Lanczos calculations, we show in Fig. 6.22 how the current correlations evolve<br />
when the correlated hopping term increases.<br />
6.13 Conclusion<br />
In this work we have considered several scenarii that are shedding light on the possibility<br />
for spontaneous time reversal symmetry breaking in Hubbard-like models.<br />
As a first step, we have considered a simple three-site ring with a pair of holes:<br />
this small model already shows that when the hopping integral t is positive, there<br />
is a natural trivial charge circulation. Indeed, further variational Monte Carlo<br />
and mean-field calculations show that for some particular choices of the sign of<br />
the hopping transfer integral within the three-band Hubbard model, orbital currents<br />
are strongly stabilized. When the choice of the hopping sign leads to 2<br />
triangles with positive hopping sign around each copper site, the resulting sym-