We consider the one-band Hubbard model on the square lattice by using variational and Green's function Monte Carlo methods, where the variational states contain Jastrow and backflow correlations on top of an uncorrelated wave function that includes BCS pairing and magnetic order. At half-filling, where the ground state is antiferromagnetically ordered for any value of the on-site interaction U, we can identify a hidden critical point U Mott, above which a finite BCS pairing is stabilized in the wave function. The existence of this point is reminiscent of the Mott transition in the paramagnetic sector and determines a separation between a Slater insulator (at small values of U), where magnetism induces a potential energy gain, and a Mott insulator (at large values of U), where magnetic correlations drive a kinetic energy gain. Most importantly, the existence of U Mott has crucial consequences when doping the system: We observe a tendency for phase separation into hole-rich and hole-poor regions only when doping the Slater insulator, while the system is uniform by doping the Mott insulator. Superconducting correlations are clearly observed above U Mott, leading to the characteristic dome structure in doping. Furthermore, we show that the energy gain due to the presence of a finite BCS pairing above U Mott shifts from the potential to the kinetic sector by increasing the value of the Coulomb repulsion.

Hidden Mott transition and large-U superconductivity in the two-dimensional Hubbard model / Tocchio, Luca Fausto; Becca, Federico; Sorella, Sandro. - In: PHYSICAL REVIEW. B. - ISSN 2469-9950. - 94:19(2016), pp. 1-10. [10.1103/PhysRevB.94.195126]

Hidden Mott transition and large-U superconductivity in the two-dimensional Hubbard model

Tocchio, Luca Fausto;Becca, Federico;Sorella, Sandro
2016

Abstract

We consider the one-band Hubbard model on the square lattice by using variational and Green's function Monte Carlo methods, where the variational states contain Jastrow and backflow correlations on top of an uncorrelated wave function that includes BCS pairing and magnetic order. At half-filling, where the ground state is antiferromagnetically ordered for any value of the on-site interaction U, we can identify a hidden critical point U Mott, above which a finite BCS pairing is stabilized in the wave function. The existence of this point is reminiscent of the Mott transition in the paramagnetic sector and determines a separation between a Slater insulator (at small values of U), where magnetism induces a potential energy gain, and a Mott insulator (at large values of U), where magnetic correlations drive a kinetic energy gain. Most importantly, the existence of U Mott has crucial consequences when doping the system: We observe a tendency for phase separation into hole-rich and hole-poor regions only when doping the Slater insulator, while the system is uniform by doping the Mott insulator. Superconducting correlations are clearly observed above U Mott, leading to the characteristic dome structure in doping. Furthermore, we show that the energy gain due to the presence of a finite BCS pairing above U Mott shifts from the potential to the kinetic sector by increasing the value of the Coulomb repulsion.
94
19
1
10
195126
https://doi.org/10.1103/PhysRevB.94.195126
https://arxiv.org/abs/1607.06734
Tocchio, Luca Fausto; Becca, Federico; Sorella, Sandro
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Utilizza questo identificativo per citare o creare un link a questo documento: http://hdl.handle.net/20.500.11767/47199
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