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1.
Science ; 384(6696): eadh7691, 2024 May 10.
Artículo en Inglés | MEDLINE | ID: mdl-38723081

RESUMEN

The Hubbard model is an iconic model in quantum many-body physics and has been intensely studied, especially since the discovery of high-temperature cuprate superconductors. Combining the complementary capabilities of two computational methods, we found superconductivity in both the electron- and hole-doped regimes of the two-dimensional Hubbard model with next-nearest-neighbor hopping. In the electron-doped regime, superconductivity was weaker and was accompanied by antiferromagnetic Néel correlations at low doping. The strong superconductivity on the hole-doped side coexisted with stripe order, which persisted into the overdoped region with weaker hole-density modulation. These stripe orders varied in fillings between 0.6 and 0.8. Our results suggest the applicability of the Hubbard model with next-nearest hopping for describing cuprate high-transition temperature (Tc) superconductivity.

2.
J Phys Condens Matter ; 36(18)2024 Feb 05.
Artículo en Inglés | MEDLINE | ID: mdl-38262049

RESUMEN

We revisit the issue about the magnetization of the 120° order in the spin-1/2 triangular lattice Heisenberg model with density matrix renormalization group (DMRG). The accurate determination of the magnetization of this model is challenging for numerical methods and its value exhibits substantial disparities across various methods. We perform a large-scale DMRG calculation of this model by employing bond dimension as large asD=24000and by studying the system with width as large asLy=12. With careful extrapolation with truncation error and suitable finite size scaling, we give a conservative estimation of the magnetization asM0=0.208(8). The ground state energy per site we obtain isEg=-0.5503(8). Our results provide valuable benchmark values for the development of new methods in the future.

3.
Nano Lett ; 23(21): 9704-9710, 2023 Nov 08.
Artículo en Inglés | MEDLINE | ID: mdl-37870505

RESUMEN

Quantum spins, also known as spin operators that preserve SU(2) symmetry, lack a specific orientation in space and are hypothesized to display unique interactions with superconductivity. However, spin-orbit coupling and crystal field typically cause a significant magnetic anisotropy in d/f shell spins on surfaces. Here, we fabricate atomically precise S = 1/2 magnetic nanographenes on Pb(111) through engineering sublattice imbalance in the graphene honeycomb lattice. Through tuning the magnetic exchange strength between the unpaired spin and Cooper pairs, a quantum phase transition from the singlet to the doublet state has been observed, consistent with the quantum spin models. From our calculations, the particle-hole asymmetry is induced by the Coulomb scattering potential and gives a transition point about kBTk ≈ 1.6Δ. Our work demonstrates that delocalized π electron magnetism hosts highly tunable magnetic bound states, which can be further developed to study the Majorana bound states and other rich quantum phases of low-dimensional quantum spins on superconductors.

4.
Nat Chem ; 15(1): 53-60, 2023 Jan.
Artículo en Inglés | MEDLINE | ID: mdl-36280765

RESUMEN

Unlike classic spins, quantum magnets are spin systems that interact via the exchange interaction and exhibit collective quantum behaviours, such as fractional excitations. Molecular magnetism often stems from d/f-transition metals, but their spin-orbit coupling and crystal field induce a significant magnetic anisotropy, breaking the rotation symmetry of quantum spins. Thus, it is of great importance to build quantum nanomagnets in metal-free systems. Here we have synthesized individual quantum nanomagnets based on metal-free multi-porphyrin systems. Covalent chains of two to five porphyrins were first prepared on Au(111) under ultrahigh vacuum, and hydrogen atoms were then removed from selected carbons using the tip of a scanning tunnelling microscope. The conversion of specific porphyrin units to their radical or biradical state enabled the tuning of intra- and inter-porphyrin magnetic coupling. Characterization of the collective magnetic properties of the resulting chains showed that the constructed S = 1/2 antiferromagnets display a gapped excitation, whereas the S = 1 antiferromagnets exhibit distinct end states between even- and odd-numbered spin chains, consistent with Heisenberg model calculations.

5.
J Phys Condens Matter ; 34(23)2022 Apr 05.
Artículo en Inglés | MEDLINE | ID: mdl-35294934

RESUMEN

We revisit the unrestricted Hartree Fock study on the evolution of the ground state of the Hubbard model on the triangular lattice with hole doping. At half-filling, it is known that the ground state of the Hubbard model on triangular lattice develops a 120 degree coplanar order at half-filling in the strong interaction limit, i.e., in the spin 1/2 anti-ferromagnetic Heisenberg model on the triangular lattice. The ground state property in the doped case is still in controversy even though extensive studies were performed in the past. Within Hartree Fock theory, we find that the 120 degree order persists from zero doping to about 0.3 hole doping. At 1/3 hole doping, a three-sublattice collinear order emerges in which the doped hole is concentrated on one of the three sublattices with antiferromagnetic Neel order on the remaining two sublattices, which forms a honeycomb lattice. Between the 120 degree order and 1/3 doping region, a phase separation occurs in which the 120 degree order coexists with the collinear anti-ferromagnetic order in different regions of the system. The collinear phase extends from 1/3 doping to about 0.41 doping, beyond which the ground state is paramagnetic with uniform electron density. The phase diagram from Hartree Fock could provide guidance for the future study of the doped Hubbard model on triangular lattice with more sophisticated many-body approaches.

6.
Science ; 358(6367): 1155-1160, 2017 12 01.
Artículo en Inglés | MEDLINE | ID: mdl-29191901

RESUMEN

Competing inhomogeneous orders are a central feature of correlated electron materials, including the high-temperature superconductors. The two-dimensional Hubbard model serves as the canonical microscopic physical model for such systems. Multiple orders have been proposed in the underdoped part of the phase diagram, which corresponds to a regime of maximum numerical difficulty. By combining the latest numerical methods in exhaustive simulations, we uncover the ordering in the underdoped ground state. We find a stripe order that has a highly compressible wavelength on an energy scale of a few kelvin, with wavelength fluctuations coupled to pairing order. The favored filled stripe order is different from that seen in real materials. Our results demonstrate the power of modern numerical methods to solve microscopic models, even in challenging settings.

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