相关论文: Structural phase transition induced by van Hove si…

Based on the ab initio calculations, we show that MoTe2, in its low-temperature orthorhombic structure characterized by an X-ray diffraction study at 100 K, realizes 4 type-II Weyl points between the N-th and N+1-th bands, where N is the…

The possible role of the van Hove singularity (vHs) in stabilizing the low-temperature orthorhombic (LTO) phase transition in La$_{2-x}$\-Sr$_x$\-CuO$_ 4$ (LSCO) is discussed. It is found that the vHs can drive a structural distortion in…

Spin-orbit coupling plays a large role in stabilizing the low-temperature orthorhombic phase of La$_{2-x}$Sr$_x$CuO$_4$. It splits the degeneracy of the van Hove singularities (thereby stabilizing the distorted phase) and completely changes…

In two-dimensional electronic lattices, changes in the topology of the Fermi surface (Lifshitz transitions) lead to Van Hove singularities characterized by a divergence in the electronic density of states. Van Hove singularities can enhance…

Locally noncentrosymmetric structures in crystals are attracting much attention owing to emergent phenomena associated with the sublattice degree of freedom. The newly discovered heavy fermion superconductor CeRh$_2$As$_2$ is considered to…

Kondo hybridization in partially filled f-electron systems conveys significant amount of electronic states sharply near the Fermi energy leading to various instabilities from superconductivity to exotic electronic orders. UGe2 is a 5f heavy…

Based on the random phase approximation calculation in two-orbital honeycomb lattice model, we investigate the pairing symmetry of Ni-based transition-metal trichalcogenides by electron doping access to type-II van Hove singularities (vHs).…

Sr$_2$MoO$_4$ is isostructural to the unconventional superconductor Sr$_2$RuO$_4$ but with two electrons instead of two holes in the Mo/Ru-t$_{2g}$ orbitals. Both materials are Hund's metals, but while Sr$_2$RuO$_4$ has a van Hove…

Using density functional plus dynamical mean-field theory method (DFT+DMFT) with full self-consistency over the charge density, we study the effect of electronic correlations on the electronic structure, magnetic properties,…

Quantum materials with layered kagome structures have drawn considerable attention due to their unique lattice geometry, which gives rise to flat bands co-existing with Dirac-like dispersions. The interplay between strong Coulomb…

When a van-Hove singularity is located in the vicinity of the Fermi level, the electronic scattering rate acquires a non-analytic contribution. This invalidates basic assumptions of Fermi liquid theory and within perturbative treatments…

Kagome metals with van Hove singularities near the Fermi level can host intriguing quantum phenomena such as chiral loop currents, electronic nematicity, and unconventional superconductivity. However, to our best knowledge, unconventional…

The results of first principles electronic structure calculations for the metallic rutile and the insulating monoclinic M1 phase of vanadium dioxide are presented. In addition, the insulating M2 phase is investigated for the first time. The…

In 5d transition metal oxides such as the iridates, novel properties arise from the interplay of electron correlations and spin-orbit interactions. We investigate the electronic structure of the pyrochlore iridates, (such as…

A computational search for stable structures among both $\alpha$ and $\beta$ phases of ternary ATB4 borides (A= Mg, Ca, Sr, Ba, Al, Ga, and Zn, T is 3d or 4d transition elements) has been performed. We found that $\alpha$-ATB4 compounds…

The superconducting (SC) state of iron-based compounds in both tetragonal and orthorhombic phases is studied on the basis of an effective Hamiltonian composed of the kinetic energy including the five Fe 3d-orbitals, the orthorhombic…

In recent years, transition metal dichalcogenides (TMDs) have garnered great interest as topological materials -- monolayers of centrosymmetric $\beta$-phase TMDs have been identified as 2D topological insulators (TIs), and bulk crystals of…

Electron doping is an excellent tuning knob to explore different phases of matter in two-dimensional (2D) materials. For example, tuning the Fermi level at a van Hove singularity in twisted bilayer graphene can enhance electron-electron…

Fe$_5$GeTe$_2$ is a van der Waals (vdW)-coupled unconventional ferromagnetic metal with a high Curie temperature ($T_C$) exceeding 300 K. The formation of an anomalous ground state significantly below $T_C$ has received considerable…

Nonequilibrium phase transitions driven by light pulses represent a rapidly developing field in condensed matter physics. As one of the archetypal strongly correlated materials, vanadium dioxide (VO2) undergoes a structural phase transition…