Garioud Renaud, Šimkovic Fedor, Rossi Riccardo, Spada Gabriele, Schäfer Thomas, Werner Félix, Ferrero Michel
CPHT, CNRS, <a href="https://ror.org/05hy3tk52">Ecole Polytechnique</a>, Institut Polytechnique de Paris, 91128 Palaiseau, France.
<a href="https://ror.org/04ex24z53">Collège de France</a>, 11 place Marcelin Berthelot, 75005 Paris, France.
Phys Rev Lett. 2024 Jun 14;132(24):246505. doi: 10.1103/PhysRevLett.132.246505.
We introduce a spin-symmetry-broken extension of the connected determinant algorithm [Riccardo Rossi, Determinant diagrammatic Monte Carlo algorithm in the thermodynamic limit, Phys. Rev. Lett. 119, 045701 (2017).PRLTAO0031-900710.1103/PhysRevLett.119.045701]. The resulting systematic perturbative expansions around an antiferromagnetic state allow for numerically exact calculations directly inside a magnetically ordered phase. We show new precise results for the magnetic phase diagram and thermodynamics of the three-dimensional cubic Hubbard model at half-filling. With detailed computations of the order parameter in the low to intermediate-coupling regime, we establish the Néel phase boundary. The critical behavior in its vicinity is shown to be compatible with the O(3) Heisenberg universality class. By determining the evolution of the entropy with decreasing temperature through the phase transition we identify the different physical regimes at U/t=4. We provide quantitative results for several thermodynamic quantities deep inside the antiferromagnetic dome up to large interaction strengths and investigate the crossover between the Slater and Heisenberg regimes.
我们引入了一种对连通行列式算法的自旋对称性破缺扩展[里卡多·罗西,《热力学极限下的行列式图解蒙特卡罗算法》,《物理评论快报》119, 045701 (2017年)。PRLTAO0031 - 900710.1103/PhysRevLett.119.045701]。围绕反铁磁态产生的系统微扰展开允许在磁有序相内部直接进行数值精确计算。我们展示了半填充时三维立方哈伯德模型的磁相图和热力学的新精确结果。通过对低到中等耦合区域序参量的详细计算,我们确定了奈尔相边界。其附近的临界行为被证明与O(3)海森堡普适类兼容。通过确定穿过相变时熵随温度降低的演化,我们确定了U/t = 4时的不同物理区域。我们给出了在反铁磁穹顶内部直至大相互作用强度下几个热力学量的定量结果,并研究了斯莱特和海森堡区域之间的交叉。