The electronic structure and possible electronic orders in monolayer NbF$_4$ are investigated by density functional theory and functional renormalization group. Because of the niobium-centered octahedra, the energy band near the Fermi level is found
to derive from the $4d_{xy}$ orbital, well separated from the other bands. Local Coulomb interaction drives the undoped system into an antiferromagnetic insulator. Upon suitable electron/hole doping, the system is found to develop $d_{x^2-y^2}$-wave superconductivity with sizable transition temperature. Therefore, the monolayer NbF$_4$ may be an exciting $4d^1$ analogue of cuprates, providing a new two-dimensional platform for high-$T_c$ superconductivity.
We use functional renormalization group method to study a three-orbital model for superconducting Sr$_2$RuO$_4$. Although the pairing symmetry is found to be chiral $p$-wave, the atomic spin-orbit coupling induces near-nodes for quasiparticle excitat
ions. Our theory explains a major experimental puzzle between $d$-wave-like feature observed in thermal experiments and the chiral $p$-wave triplet pairing revealed in nuclear-magnetic-resonance and Kerr effect.
Motivated by the success of experimental manipulation of the band structure through biaxial strain in Sr$_2$RuO$_4$ thin film grown on a mismatched substrate, we investigate theoretically the effects of biaxial strain on the electronic instabilities,
such as superconductivity (SC) and spin density wave (SDW), by functional renormalization group. According to the experiment, the positive strain (from lattice expansion) causes charge transfer to the $gamma$-band and consequently Lifshitz reconstruction of the Fermi surface. Our theoretical calculations show that within a limited range of positive strain a p-wave superconducting order is realized. However, as the strain is increased further the system develops into the SDW state well before the Lifshitz transition is reached. We also consider the effect of negative strains (from lattice constriction). As the strain increases, there is a transition from p-wave SC state to nodal s-wave SC state. The theoretical results are discussed in comparison to experiment and can be checked by further experiments.
Using the functional renormalization group, we investigate the electron instability in the single-sheet BC$_3$ when the electron filling is near a type-II van Hove singularity. For a finite Hubbard interaction, the ferromagnetic-like spin density wav
e order dominates in the immediate vicinity of the singularity. Elsewhere near the singularity the p-wave superconductivity prevails. We also find that a small nearest-neighbor Coulomb repulsion can enhance the superconductivity. Our results show that BC$_3$ would be a promising candidate to realize topological $p+ip$ superconductivity, but the transition temperature is practically sizable only if the local interaction is moderately strong.
We apply the recent wavepacket formalism developed by Ossadnik to describe the origin of the short range ordered pseudogap state as the hole doping is lowered through a critical density in cuprates. We argue that the energy gain that drives this prec
ursor state to Mott localization, follows from maximizing umklapp scattering near the Fermi energy. To this end we show how energy gaps driven by umklapp scattering can open on an appropriately chosen surface, as proposed earlier by Yang, Rice and Zhang. The key feature is that the pairing instability includes umklapp scattering, leading to an energy gap not only in the single particle spectrum but also in the pair spectrum. As a result the superconducting gap at overdoping is turned into an insulating pseudogap, in the antinodal parts of the Fermi surface.
We constructed an effective tight-binding model with five Cr $3d$ orbitals for LaOCrAs according to first-principles calculations. Basing on this model, we investigated possible superconductivity induced by correlations in doped LaOCrAs using the fun
ctional renormalization group (FRG). We find that there are two domes of superconductivity in electron-doped LaOCrAs. With increasing electron doping, the ground state of the system evolves from G-type antiferromagnetism in the parent compound to an incipient $s_pm$-wave superconducting phase dominated by electron bands derived from the $d_{3z^2-r^2}$ orbital as the filling is above $4.2$ electrons per site on the $d$-orbitals of Cr. The gap function has strong octet anisotropy on the Fermi pocket around the zone center and diminishes on the other pockets. In electron over-doped LaOCrAs, the system develops $d_{x^2-y^2}$-wave superconducting phase and the active band derives from the $d_{xy}$ orbital. Inbetween the two superconducting domes, a time-reversal symmetry breaking $s+id$ SC phase is likely to occur. We also find $s_pm$-wave superconducting phase in the hole-doped case.
We investigate the electronic instabilities in a Kagome lattice with Rashba spin-orbital coupling by the unbiased singular-mode functional renormalization group. At the parent $1/3$-filling, the normal state is a quantum spin Hall system. Since the b
ottom of the conduction band is near the van Hove singularity, the electron-doped system is highly susceptible to competing orders upon electron interactions. The topological nature of the parent system enriches the complexity and novelty of such orders. We find $120^o$-type intra-unitcell antiferromagnetic order, $f$-wave superconductivity and chiral $p$-wave superconductivity with increasing electron doping above the van Hove point. In both types of superconducting phases, there is a mixture of comparable spin singlet and triplet components because of the Rashba coupling. The chiral $p$-wave superconducting state is characterized by a Chern number $Z=1$, supporting a branch of Weyl fermion states on each edge. The model bares close relevance to the so-called $sd^2$-graphenes proposed recently.
Motivated by the recent discovery of high temperature antiferromagnet SrRu$_2$O$_6$ and its potential to be the parent of a new superconductor, we construct a minimal $t_{2g}$-orbital model on a honeycomb lattice to simulate its low energy band struc
ture. Local Coulomb interaction is taken into account through both random phase approximation and mean field theory. Experimentally observed Antiferromagnetic order is obtained in both approximations. In addition, our theory predicts that the magnetic moments on three $t_{2g}$-orbitals are non-collinear as a result of the strong spin-orbit coupling of Ru atoms.
Looking for superconductors with higher transition temperature requires a guiding principle. In conventional superconductors, electrons pair up into Cooper pairs via the retarded attraction mediated by electron-phonon coupling. Higher-frequency phono
n (or smaller atomic mass) leads to higher superconducting transition temperature, known as the isotope effect. Furthermore, superconductivity is the only instability channel of the metallic normal state. In correlated systems, the above simple scenario could be easily violated. The strong local interaction is poorly screened, and this conspires with a featured Fermi surface to promote various competing electronic orders, such as spin-density-wave, charge-density-wave and unconventional superconductivity. On top of the various phases, the effect of electron-phonon coupling is an intriguing issue. Using the functional renormalization group, here we investigated the interplay between the electron correlation and electron-phonon coupling in a prototype Hubbard-Holstein model on a square lattice. At half-filling, we found spin-density-wave and charge-density-wave phases and the transition between them, while no superconducting phase arises. Upon finite doping, d-wave/s-wave superconductivity emerges in proximity to spin-density-wave/charge-density-wave phases. Surprisingly, lower-frequency Holstein-phonons are either less destructive, or even beneficial, to the various phases, resulting in a negative isotope effect. We discuss the underlying mechanism behind and the implications of such anomalous effects.
Using functional renormalization group we investigated possible superconductivity in doped Sr$_2$IrO$_4$. In the electron doped case, a $d^*_{x^2-y^2}$-wave superconducting phase is found in a narrow doping region. The pairing is driven by spin fluct
uations within the single conduction band. In contrast, for hole doping an $s^*_{pm}$-wave phase is established, triggered by spin fluctuations within and across the two conduction bands. In all cases there are comparable singlet and triplet components in the pairing function. The Hunds rule coupling reduces (enhances) superconductivity for electron (hole) doping. Our results imply that hole doping is more promising to achieve a higher transition temperature. Experimental perspectives are discussed.
