相关论文: Material-dependent screening of Coulomb interactio…

To explore material dependence of layered cuprate superconductors, we examine effective two-particle interactions for Hg1201 and Tl1201, where Tl1201 having a nearly half value of Tc of Hg1201 even at the optimal oxygen concentration.…

Correlated materials are extremely sensitive to external stimuli, such as temperature or pressure. Describing the electronic properties of such systems often requires applying many-body techniques to effective low energy problems in the…

The effective on-site Coulomb interaction (Hubbard $U$) between localized electrons at crystal surfaces is expected to be enhanced due to the reduced coordination number and reduced subsequent screening. By means of first principles…

In the 35 years since the discovery of cuprate superconductors, we have not yet reached a unified understanding of their properties, including their material dependence of the superconducting transition temperature $T_{\text{c}}$. The…

In this review, we first present compelling evidence from resonant inelastic x-ray scattering data that highlights the significance of the long-range Coulomb interaction in cuprate charge dynamics, particularly around the in-plane momentum…

We investigated the material parameters of several single-layer cuprates, including those with fluorinated buffer layers, with the aim of identifying possible high-temperature superconductors. To evaluate the material parameters, we use the…

Although the cuprate high-temperature superconductors were discovered already 1986 the origin of the pairing mechanism remains elusive. While the doped compounds are superconducting with high transition temperatures $T_{c}$ the undoped…

One central challenge in high-$T_c$ superconductivity (SC) is to derive a detailed understanding for the specific role of the $Cu$-$d_{x^2-y^2}$ and $O$-$p_{x,y}$ orbital degrees of freedom. In most theoretical studies an effective one-band…

Recent angle-resolved photoemission spectroscopy measurements of Co-doped LiFeAs report a large and robust superconducting gap on the $\Gamma$-centered hole band that lies 8 meV below the Fermi level. We show that, unlike a conventional…

One important yet exceedingly rare property of the cuprate high-temperature superconductors is the presence of a single correlated $d$ band in the low-energy spectrum, leading to the one-band Hubbard model as the minimal description. In…

Understanding physics of high-$T_c$ cuprate superconductors remains one of the important problems in materials science. Though a number of diverse theories argue about the superconductivity and competing orders, ab initio and quantitative…

Former results for a Tight-Binding (TB) model of CuO planes in La2CuO4 are reinterpreted here to underline their wider implications. It is noted that physical systems being appropriately described by the TB model can exhibit the main…

Using {\it ab initio} approaches for extended Hubbard interactions coupled to phonons, we reveal that the intersite Coulomb interaction plays important roles in determining various distinctive phases of the paradigmatic charge ordered…

Possibility of unconventional pairing due to Coulomb interaction in iron-pnictide superconductors is studied by applying a perturbative approach to realistic 2- and 5-band Hubbard models. The linearized Eliashberg equation is solved by…

We compute the superconducting condensation energies Econd of Hg1201 and Tl2201 cuprates by applying the variational Monte Carlo method to the two-dimensional Hubbard model, first, with the specific band parameters t' = -2t" = -0.25t…

We consider theoretically a $1D$-semiconducting wire with strong Rashba interaction in proximity with $s$-wave superconductor, driven into topological phase by external magnetic field. Additionally, we take into account on-site Coulomb…

Magnetic frustrations in two-dimensional materials provide a rich playground to engineer unconventional phenomena such as non-collinear magnetic order and quantum spin-liquid behavior. However, despite intense efforts, a realization of…

We calculate the strength of the effective onsite Coulomb interaction (Hubbard $U$) in two-dimensional (2D) transition-metal (TM) dihalides MX$_2$ and trihalides MX$_3$ (M=Ti, V, Cr, Mn, Fe, Co, Ni; X=Cl, Br, I) from first principles using…

Recent theoretical and experimental studies suggest that van der Waals heterostructures with n- and p-doped bilayers of transition metal dichalcogenides are promising facilitators of exciton superfluidity. Exciton superfluidity in such…

The nature of the effective interaction responsible for pairing in the high-temperature superconducting cuprates remains unsettled. This question has been studied extensively using the simplified single-band Hubbard model, which does not…