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arXiv 2205.01161cond-mat.str-el
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Hubbard模型的累积格林函数方法

The cumulant Green's functions method for the Hubbard model

Renan Lira, Peter Riseborough, Jereson Silva-Valencia, Marcos Figueira

AI总结:

本文提出累积格林函数方法(CGFM)研究外磁场下的单带Hubbard模型,通过团簇对角化直接计算晶格格林函数,无需自洽过程,结果随团簇增大趋近精确值,并发现一种有限团簇效应且应用于自旋电子学。

摘要:

我们使用累积格林函数方法(CGFM)研究外磁场作用下的单带Hubbard模型。该方法的起点是对包含N个关联位点(种子)的团簇进行对角化,并利用从团簇解中计算出的累积量来获取晶格的完整格林函数。所有计算均直接完成,无需任何自洽过程。我们将CGFM得到的能隙、基态能量和双占据的一维结果与热力学Bethe拟设和量子转移矩阵方法的相应精确结果进行了基准比较。随着团簇尺寸的增加,CGFM的结果系统性地趋近于精确值。态密度的粒子-空穴对称性得到满足。该方法可应用于一维、二维或三维Hubbard哈密顿量的任意参数空间,也可扩展至其他强关联模型,如Anderson哈密顿量、t-J、Kondo和Coqblin-Schrieffer模型。我们还计算了正磁场作为化学势函数的影响,并识别出一种有限团簇效应(Phase VI),其特征为部分填充的能带和负磁化(n_up < n_down)。该相在包含多达N=8个位点的团簇中存在,但随着团簇尺寸的增加趋于消失。我们包含了在自旋电子学中的一个简单应用,其中我们将这些团簇作为关联量子点,在连接到Hubbard导线时实现单电子晶体管。我们计算了相图,包括新的团簇相,使用磁场和化学势作为N=7和N=8的参数。

英文摘要:

We study the single-band Hubbard model under the action of an external magnetic field using the cumulant Green's functions method (CGFM). The starting point of the method is to diagonalize a cluster containing N correlated sites (seed) and employ the cumulants calculated from the cluster solution to obtain the full Green's functions for the lattice. All calculations are done directly, and no self-consistent process is needed. We benchmark the one-dimensional results for the gap, the ground-state energy, and the double occupancy obtained from the CGFM against the corresponding exact results of the thermodynamic Bethe ansatz and the quantum transfer matrix methods. The results for the CGFM tend systematically to the exact one as the cluster size increases. The particle-hole symmetry of the density of states is fulfilled. The method can be applied to any parameter space for one, two, or three-dimensional Hubbard Hamiltonians and can also be extended to other strongly correlated models, like the Anderson Hamiltonian, the t-J, Kondo, and Coqblin-Schrieffer models. We also calculate the effects of positive magnetic fields as a function of the chemical potential, and we identify a finite cluster effect (Phase VI) characterized by a partially filled band and negative magnetization (n_up < n_down). This phase survives for clusters containing up to N=8 sites but tends to disappear as the size of the cluster increases. We include a simple application to spintronics, where we used these clusters as correlated quantum dots to realize a single-electron transistor when connected to Hubbard leads. We calculate the phase diagram, including the new cluster phase, using the magnetic field and chemical potential as parameters for N=7 and N=8.

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