pdf, 9 MiB - Infoscience - EPFL
pdf, 9 MiB - Infoscience - EPFL
pdf, 9 MiB - Infoscience - EPFL
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193<br />
Since the energy difference between the oxygen and the copper atomic levels is of<br />
the order of ∼ 3.5eV , the component of the wavefunction p † ↑ p† ↓<br />
is expected to be<br />
negligible, and we can assume to simplify the calculations that L ij ∼ 0. Finally,<br />
we get the current conservation inside the triangle plaquette, for the alternative<br />
pattern (b) of Fig. B.1, when this equation is satisfied:<br />
sin(χ − a)<br />
sin(−2χ) = t pp R<br />
(B.7)<br />
t dp R a<br />
The right hand term of the two equations above is positive for the choice of<br />
the transfer integrals that corresponds to the physical compounds. However,<br />
the left handed term is negative when a 0, the equations can be<br />
satisfied. In conclusion, for the physical choice of the hopping hybridizations,<br />
the current will be rotationally circulating with the two types of patterns proposed<br />
by C.Varma [138] only when the simple wavefunction has a negative term<br />
−|α|d † ↑ d† ↓ , but the sign of the t dp kinetic energy is reversed at the same time. The<br />
above simple variational theory is however valid only for a pair of electrons in a<br />
small cluster. A more general variational wavefunction for many electrons, in the<br />
three-band Hubbard model on a large lattice, is given by the ground-state of the<br />
following mean-field Hamiltonian :<br />
H MF = ∑ 〈i,j〉<br />
t ij e iθ ij<br />
c † iσ c jσ + c.c.<br />
(B.8)<br />
This hamiltonian describes free electrons coupled to an external magnetic field,<br />
that enters the equations through the θ ij variables. We assume now that θ ij is<br />
oriented like the current pattern θ 2 proposed by Chandra Varma. In particular,<br />
θ ij takes two different amplitudes on the copper-oxygen links (|θ Cu−O | = α 1 )and<br />
on the links oxygen-oxygen (|θ O−O | = α 2 ). We define the current operator ĵ and<br />
the kinetic energy ˆK associated with the same bond :<br />
ĵ kl = ∑ σ<br />
it kl c † iσ c jσ + c.c.<br />
(B.9)<br />
ˆK kl = ∑ σ<br />
t kl c † iσ c jσ + c.c.<br />
(B.10)<br />
ĵ and ˆK are shown in Fig.B.2 for the parameters (α 1 ,α 2 ). The wavefunction is<br />
defined for a 64 copper lattice doped with holes at x =0.125. ĵ is orientated such<br />
that when j Cu−O ,j O−O > 0 the pattern is orientated similarly to the θ 2 pattern<br />
of C. Varma. We see in Fig.B.2 that the zone where j Cu−O > 0andj O−O > 0<br />
(short dashed rectangular box) corresponds to a maximum of the kinetic energy<br />
and therefore is not expected to be stabilized by other interactions, since the cost<br />
in energy for such a phase is of the order of 1.3eV in the cuprates.