相关论文: Charge Density Wave Instability and Soft Phonon in…

The intriguing coexistence of the charge density wave (CDW) and superconductivity in SrPt$_2$As$_2$ and LaPt$_2$Si$_2$ has been investigated based on the {\it ab initio} density functional theory band structure and phonon calculations. We…

We study the newly discovered Pt phosphides $A$Pt$_3$P ($A$=Sr, Ca, La) [ T. Takayama et al. Phys. Rev. Lett. 108, 237001 (2012)] using first-principles calculations and Migdal-Eliashberg theory. Given the remarkable agreement with the…

SrPt3P has recently been reported to exhibit superconductivity with Tc = 8.4 K. To explore its superconducting mechanism, we have performed electron and phonon band calculations based on the density functional theory, and found that the…

The ubiquitous tendency of superconducting cuprates to form charge density waves (CDWs) has reignited interest in the nature of their electron-phonon interaction and its role in shaping their phase diagrams. While pronounced dispersion…

We present a high energy-resolution inelastic x-ray scattering investigation of the soft phonon mode in the charge-density-wave system TbTe$_3$. We analyze our data based on lattice dynamical calculations using…

We report the discovery of a family of ternary platinum phosphides APt3P (A = Ca, Sr and La), which crystallize in an antiperovskite-based structure closely related to that of the heavy fermion superconductor CePt3Si. All three phosphides…

Charge-density-wave (CDW) order has long been interpreted as arising from a Fermi-surface instability in the parent metallic phase. While phonon-electron coupling has been suggested to influence the formation of CDW order in…

After theoretical determination of the internal structural coordinates in Li$_2$Pd$_3$B, we calculate and analyze its electronic structure and obtain the frequencies of the two $A_g$ phonons (40.6 meV for nearly pure Li mode, 13.0 meV for…

We present a microscopic derivation of the nematic charge-density-wave (CDW) formation in cuprate superconductors based on the three-orbital d-p Hubbard model, by introducing the vertex correction (VC) into the charge susceptibility. The…

I present the results of first principles calculations of the phonon dispersions and electron-phonon coupling for BaTi$_2$Sb$_2$O. The phonon dispersions show a weak lattice instability near the zone corners that leads to a charge-density…

Superconductivity in the cuprates is found to be intertwined with charge and spin density waves. Determining the interactions between the different types of order is crucial for understanding these important materials. Here, we elucidate…

We present a study of the lattice dynamical properties of superconducting SrPt$_3$P ($T_c = 8.4$ K) via high-resolution inelastic x-ray scattering (IXS) and ab initio calculations. Density functional perturbation theory including spin-orbit…

Metallic materials with kagome lattice structure are interesting because their electronic structures can host flat bands, Dirac cones, and van Hove singularities, resulting in strong electron correlations, nontrivial band topology, charge…

A range of of unusual emergent behaviors have been reported in the charge-density wave (CDW) state of the $A$V$_3$Sb$_5$ ($A=~$K, Rb, Cs) kagome metals, including a CDW formation process without soft phonons, which points to an…

Charge density waves (CDWs) are ubiquitous in under-doped cuprate superconductors. As a modulation of the valence electron density, CDWs in hole-doped cuprates possess both Cu-3d and O-2p orbital character owing to the strong hybridization…

Superconductivity and magnetism in the non-centrosymmetric heavy fermion compound CePt$_3$Si and related materials are theoretically investigated. Based on the randam phase approximation (RPA) analysis for the extended Hubbard model we…

The nature of the lattice instability connected to the structural transition and superconductivity of (Sr,Ca)$_3$Ir$_4$Sn$_{13}$ is not yet fully understood. In this work density functional theory (DFT) calculations of the phonon…

We present ab-initio electronic structure results on the surface of sqr3 adsorbates. In particular, we address the issue of metal-insulator instabilities, charge-density-waves (CDWs) or spin-density-waves (SDWs), driven by partly filled…

Intertwined charge and spin correlations are ubiquitous in a wide range of transition metal oxides and are often perceived as intimately related to unconventional superconductivity. Theoretically envisioned as driven by strong electronic…

Charge-density-wave (CDW) order and superconductivity often compete in low-dimensional materials, yet their interplay in Janus MXenes remains largely unexplored. Here, we present a comprehensive first-principles investigation of the…