ترغب بنشر مسار تعليمي؟ اضغط هنا

Self-consistent ladder D$Gamma$A approach

91   0   0.0 ( 0 )
 نشر من قبل Josef Kaufmann
 تاريخ النشر 2020
  مجال البحث فيزياء
والبحث باللغة English




اسأل ChatGPT حول البحث

We present and implement a self-consistent D$Gamma$A approach for multi-orbital models and ab initio materials calculations. It is applied to the one-band Hubbard model at various interaction strengths with and without doping, to the two-band Hubbard model with two largely different bandwidths, and to SrVO$_3$. The self-energy feedback reduces critical temperatures compared to dynamical mean-field theory, even to zero temperature in two-dimensions. Compared to a one-shot, non-self-consistent calculation the non-local correlations are significantly reduced when they are strong. In case non-local correlations are weak to moderate as for SrVO$_3$, one-shot calculations are sufficient.

قيم البحث

اقرأ أيضاً

104 - S. Allen , A.-M.S. Tremblay , 2001
The conserving approximation scheme to many-body problems was developed by Kadanoff and Baym using the functional-derivative approach. Another approach for the Hubbard model also satisfies conservation laws, but in addition it satisfies the Pauli pri nciple and a number of sum rules. A concise formal derivation of that approach, using functional derivatives, is given in this conference paper to highlight formal analogies and differences with conserving approximations.
We propose an efficient dual boson scheme, which extends the DMFT paradigm to collective excitations in correlated systems. The theory is fully self-consistent both on the one- and on the two-particle level, thus describing the formation of collectiv e modes as well as the renormalization of electronic and bosonic spectra on equal footing. The method employs an effective impurity model comprising both fermionic and bosonic hybridization functions. Only single- and two-electron Greens functions of the reference problem enter the theory, due to the optimal choice of the self-consistency condition for the effective bosonic bath. We show that the theory is naturally described by a dual Luttinger-Ward functional and obeys the relevant conservation laws.
We present an approach to calculate the electronic structure for a range of materials using the quasiparticle self-consistent GW method with vertex corrections included in the screened Coulomb interaction W. This is achieved by solving the Bethe-Salp eter equation for the polarization matrix at all k-points in the Brillouin zone. We refer to this method as QSGW^. We show that including ladder diagrams in W can greatly reduce the band gap overestimation of RPA-based QSGW. The resultant discrepency of the calculated band gap in this method is then attributed mostly to the fact that electron-phonon contributions to W are neglected; which would allow one to then obtain an estimate for the size of this effect. We present results for a range of systems from simple sp semiconductors to the strongly correlated systems NiO and CoO. Results for systems where the RPA-based QSGW band gap is larger than expected are investigated, and an estimate for the Frolich contribution to the gap is included in a few polar compounds where QSGW can overestimate the gap by as much as 2 eV. The improvement over QSGW for the dielectric constants is also presented
We propose a general variational fermionic many-body wavefunction that generates an effective Hamiltonian in a quadratic form, which can then be exactly solved. The theory can be constructed within the density functional theory framework, and a self- consistent scheme is proposed for solving the exact density functional theory. We apply the theory to structurally-disordered systems, symmetric and asymmetric Hubbard dimers, and the corresponding lattice models. The single fermion excitation spectra show a persistent gap due to the fermionic-entanglement-induced pairing condensate. For disordered systems, the density of states at the edge of the gap diverges in the thermodynamic limit, suggesting a topologically ordered phase. A sharp resonance is predicted as the gap is not dependent on the temperature of the system. For the symmetric Hubbard model, the gap for both half-filling and doped case suggests that the quantum phase transition between the antiferromagnetic and superconducting phases is continuous.
The emergence of flat bands in twisted bilayer graphene leads to an enhancement of interaction effects, and thus to insulating and superconducting phases at low temperatures, even though the exact mechanism is still widely debated. The position and s plitting of the flat bands is also very sensitive to the residual interactions. Moreover, the low energy bands of twisted graphene bilayers show a rich structure of singularities in the density of states, van Hove singularities, which can enhance further the role of interactions. We study the effect of the long-range interactions on the band structure and the van Hove singularities of the low energy bands of twisted graphene bilayers. Reasonable values of the long-range electrostatic interaction lead to a band dispersion with a significant dependence on the filling. The change of the shape and position of the bands with electronic filling implies that the van Hove singularities remain close to the Fermi energy for a broad range of fillings. This result can be described as an effective pinning of the Fermi energy at the singularity. The sensitivity of the band structure to screening by the environment may open new ways of manipulating the system.
التعليقات
جاري جلب التعليقات جاري جلب التعليقات
سجل دخول لتتمكن من متابعة معايير البحث التي قمت باختيارها
mircosoft-partner

هل ترغب بارسال اشعارات عن اخر التحديثات في شمرا-اكاديميا