We generalize the typical medium dynamical cluster approximation (TMDCA) and the local Blackman, Esterling, and Berk (BEB) method for systems with off-diagonal disorder. Using our extended formalism we perform a systematic study of the effects of non
-local disorder-induced correlations and of off-diagonal disorder on the density of states and the mobility edge of the Anderson localized states. We apply our method to the three-dimensional Anderson model with configuration dependent hopping and find fast convergence with modest cluster sizes. Our results are in good agreement with the data obtained using exact diagonalization, and the transfer matrix and kernel polynomial methods.
We develop a systematic typical medium dynamical cluster approximation that provides a proper description of the Anderson localization transition in three dimensions (3D). Our method successfully captures the localization phenomenon both in the low a
nd large disorder regimes, and allows us to study the localization in different momenta cells, which renders the discovery that the Anderson localization transition occurs in a cell-selective fashion. As a function of cluster size, our method systematically recovers the re-entrance behavior of the mobility edge and obtains the correct critical disorder strength for Anderson localization in 3D.
We generalize the recently introduced dual fermion (DF) formalism for disordered fermion systems by including the effect of interactions. For an interacting disordered system the contributions to the full vertex function have to be separated into ela
stic and inelastic scattering processes, and addressed differently when constructing the DF diagrams. By applying our approach to the Anderson-Falicov-Kimball model and systematically restoring the nonlocal correlations in the DF lattice calculation, we show a significant improvement over the Dynamical Mean-Field Theory and the Coherent Potential Approximation for both one-particle and two-particle quantities.
To reduce the rapidly growing computational cost of the dual fermion lattice calculation with increasing system size, we introduce two embedding schemes. One is the real fermion embedding, and the other is the dual fermion embedding. Our numerical te
sts show that the real fermion and dual fermion embedding approaches converge to essentially the same result. The application on the Anderson disorder and Hubbard models shows that these embedding algorithms converge more quickly with system size as compared to the conventional dual fermion method, for the calculation of both single-particle and two-particle quantities.
While the coherent potential approximation (CPA) is the prevalent method for the study of disordered electronic systems, it fails to capture non-local correlations and Anderson localization. To incorporate such effects, we extend the dual fermion app
roach to disordered non-interacting systems using the replica method. Results for single- and two- particle quantities show good agreement with cluster extensions of the CPA; moreover, weak localization is captured. As a natural extension of the CPA, our method presents an alternative to the existing cluster theories. It can be used in various applications, including the study of disordered interacting systems, or for the description of non-local effects in electronic structure calculations.
