pdf, 9 MiB - Infoscience - EPFL
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4.4. RESULTS AND DISCUSSION 93<br />
lattice FS best VMC QMC<br />
triangular −0.3547(2) −0.5330(5) [112] −0.5450(1) [82]<br />
square −0.4270(2) −0.6640(1) [32] −0.6692(1) [113]<br />
honeycomb −0.5275(2) −0.5430(2) −0.5440(10) [114]<br />
Table 4.1: We compare the Heisenberg energy per site in the thermodynamic<br />
limit (in units of J) from VMC (Gutzwiller projected FS, the best available trial<br />
state) and from exact quantum Monte Carlo simulations.<br />
towards antiferromagnetism: QMC calculations give a lower value for the magnetic<br />
order (53% of the classical value [106]). The magnetic order is slightly more<br />
renormalized in the honeycomb lattice than in the square lattice, where QMC<br />
gives a magnetic order of 60% of the classical value [111]). This is expected as<br />
the fluctuations should be larger in the honeycomb lattice due to a lower coordinance<br />
number. The over estimation of magnetism at half-filling seems to be a<br />
general feature of this type of wavefunction, since the same discrepancy occurs<br />
also for the triangular and square lattice [32, 112].<br />
As can be seen from table 4.1, the Gutzwiller projected Fermi sea state gives<br />
a value surprisingly close to the exact value in the honeycomb lattice. This is<br />
not the case for the square and the triangular lattices. However from figure<br />
4.5 it becomes clear that there is no fundamental difference in the projected FS<br />
state on different lattices. The spin-spin correlations decrease with distance very<br />
rapidly to zero for all lattices with the only difference that the nearest neighbor<br />
correlations are substantially larger on the honeycomb lattice.<br />
4.4.3 Magnetism and Superconductivity<br />
We find that superconductivity is observed in the small range of doping δ =]0, 1 8 [.<br />
The BCS pairing is suppressed at the doping which corresponds to the van Hove<br />
singularity in the free electron density of states. We note also that a coexistence of<br />
aNéel phase and superconductivity is present in the range [0, 0.07] (see figure 4.6).<br />
The VMC simulations and the self-consistent MF calculations predict d x 2 −y 2+id xy<br />
symmetry for the superconducting order parameter. Also the amplitude of the<br />
mean-field pairing order parameter is in good agreement with the variational<br />
calculations in the relevant range of doping ]0, 1/8[. There is a strong reduction<br />
of the order parameter close to 1/8 doping, and the MF solutions show a long<br />
tail falling down at δ =0.4. The long MF tail for dopings larger than 1/8 has no<br />
relevance since we have shown in our VMC calculations that superconductivity<br />
is completely suppressed by SDW and ferromagnetic instabilities in this region.<br />
Interestingly, the excitations of the quasi-particles in the MF scheme are gapless<br />
at half-filling, but the excitation gap rises up to a maximum value of approx-