相关论文: Electron-phonon coupling and superconductivity in …
We have studied the lattice dynamics, electron-phonon coupling, and superconducting properties of $\alpha$-MoB$_2$, as a function of applied pressure, within the framework of density functional perturbation theory using a mixed-basis…
The mechanisms for strong electron-phonon coupling predicted for hydrogen-rich alloys with high superconducting critical temperature ($T_c$) are examined within the Migdal-Eliashberg theory. Analysis of the functional derivative of $T_c$…
We present the results of a crystal structure determination using neutron powder diffraction as well as the superconducting properties of the rare-earth sesquicarbide La2C3 (Tc ~ 13.4 K) by means of specific heat and upper critical field…
Hydrogen-rich superhydrides are promising high-Tc superconductors, with superconductivity experimentally observed near room temperature, as shown in recently discovered lanthanide superhydrides at very high pressures, e.g. LaH10 at 170 GPa…
Recent experiments have established rare earth A15 type hydrides as a distinct family of high temperature superconductors that can be stabilized at significantly lower pressures compared to other superconducting hydrides. In particular, A15…
We used our developed AI search engine~(InvDesFlow) to perform extensive investigations regarding ambient stable superconducting hydrides. A cubic structure Li$_2$AuH$_6$ with Au-H octahedral motifs is identified to be a candidate. After…
Hydrogen-rich compounds hold promise as high-temperature superconductors under high pressures. Recent theoretical hydride structures on achieving high-pressure superconductivity are composed mainly of H2 fragments. Through a systematic…
Using the {\it ab initio} anisotropic Eliashberg theory including Coulomb interactions, we investigate the electron-phonon interaction and the pairing mechanism in the recently-reported superconducting Ca-intercalated bilayer graphene. We…
I study the lattice dynamics and electron-phonon coupling in non-centrosymmetric quasi-one-dimensional K$_2$Cr$_3$As$_3$ using density functional theory based first principles calculations. The phonon dispersions show stable phonons without…
Rare-earth superhydrides have attracted considerable attention because of their high critical superconducting temperature under extreme pressures. They are known to have localized valence electrons, implying strong electronic correlations.…
Electron-phonon coupling (EPC) governs lattice dynamics, charge transport, and collective electronic phases in quantum materials. In several families of unconventional superconductors, including transition-metal dichalcogenides and kagome…
We present a comprehensive theoretical investigation of the superconducting (SC) properties of hexagonal HfRuAs ($h$-HfRuAs) by solving anisotropic Migdal--Eliashberg (ME) equations with the inputs from \textit{ab initio} calculations of…
Recent discovery of superconductive rare earth/actinide superhydrides has ushered in a new era of superconductivity research at high pressures. This distinct type of clathrate metal hydrides was first proposed for alkaline-earth-metal…
We present a detailed study on the influence of strong electron-phonon coupling to the photoemission spectra of lead. Representing the strong-coupling regime of superconductivity, the spectra of lead show characteristic features that…
The discovery of superconductivity at 203K in SH$_3$ is an important step toward higher values of $T_c$. Predictions based on state-of-the-art DFT for the electronic structure, including one preceding experimental confirmation, showed the…
The research on hydrogen-rich ternary compounds attract tremendous attention for it paves new route to room-temperature superconductivity at lower pressures. Here, we study the crystal structures, electronic structures, and superconducting…
Electron-phonon coupling is at the origin of conventional superconductivity, enabling the pairing of electrons into Cooper pairs. The electron-phonon matrix elements depend on the electronic eigenstates and, in the standard linear…
The crystal structure and lattice phonons of (BEDT-TTF)_2I_3 superconducting \beta-phase are computed and analyzed by the Quasi Harmonic Lattice Dynamics (QHLD) method. Whereas the crystal structure and its temperature and pressure…
We designed and investigated a series of ternary hydride compounds MXH$_{12}$ crystallizing in the cubic $Pm\overline{3}m$ structure as potential rare-earth and alkaline-earth superconductors. First-principles calculations were performed on…
Compressed hydrogen-rich compounds have received extensive attention as appealing contenders for superconductors, and further challenges are maintaining the stability and superconductivity of hydrides at lower pressures. In this work, we…