Related papers: Realizing high-temperature superconductivity in co…
Stability of numerous unexpected actinium hydrides was predicted via evolutionary algorithm USPEX. Electron-phonon interaction was investigated for the hydrogen-richest and most symmetric phases: R$\overline{3}$m-$AcH_{10}$,…
Ternary hydrides are considered as the ideal candidates with high critical temperature (Tc) stabilized at submegabar pressure, evidenced by the recent discoveries in LaBeH8 (110 K at 80 GPa) and LaB2H8 (106 K at 90 GPa). Here, we…
Hydrogen-rich hydrides attract great attention due to recent theoretical (1) and then experimental discovery of record high-temperature superconductivity in H3S (Tc = 203 K at 155 GPa (2)). Here we search for stable uranium hydrides at…
In the case of Li-intercalated hexagonal boron nitride bilayer (Li-hBN), the vertex corrections of electron-phonon interaction cannot be omitted. This is evidenced by the very high value of the ratio $\lambda\omega_{D}/\varepsilon_{F}\sim…
The bilayer Ruddlesden-Popper nickelate $\mathrm{La_3Ni_2O_7}$ has emerged as a promising platform for exploring and understanding high-temperature superconductivities. While most prior doping studies have focused on hole doping via…
The recent reports on high-temperature superconductivity above 190 K in hydrogen sulfide at 200 GPa pressure, exceeding all previously discovered superconductors, has greatly invigorated the interest in dense hydrogen-rich solids. In this…
Recently, C. M. P\'epin \textit{et al.} [Science \textbf{357}, 382 (2017)] reported the formation of several new iron polyhydrides FeH$_x$ at pressures in the megabar range, and spotted FeH$_5$, which forms above 130 GPa, as a potential…
The high critical superconducting temperatures ($T_c$s) of metal hydride phases with clathrate-like hydrogen networks have generated great interest. Herein, we employ the Density Functional Theory-Chemical Pressure (DFT-CP) method to…
Charge doping is an effective way to induce metal-insulate transition (MIT) in correlated materials for many important utilizations, which is however practically limited by problem of low stability. In this study, we have achieved…
Satterthwaite and Toepke (1970 Phys. Rev. Lett. 25 741) predicted high-temperature superconductivity in hydrogen-rich metallic alloys, based on an idea that these compounds should exhibit high Debye frequency of the proton lattice, which…
The discovery of a record high superconducting transition temperature (Tc) of 288 K in a pressurized hydride inspires new hope to realize ambient condition superconductivity. Here, we give a perspective on the theoretical and experimental…
We present the evolution of the structural, electronic, and lattice dynamical properties, as well as the electron-phonon coupling and superconducting critical temperature ($T_c$) of ScH$_2$ and YH$_2$ metal hydrides solid solutions, as a…
In the recent years, three-dimensional (3D) high-temperature superconductors at ultrahigh pressure have been reported, typical examples are the polyhydrides H$_{3}$S, LaH$_{10}$, and YH$_{9}$, etc. To find high-temperature superconductors…
Pushing dopant concentrations beyond the solubility limit in semiconductors -- a process known as hyperdoping -- has been demonstrated as an effective strategy for inducing superconductivity in cubic-diamond Si and SiGe materials.…
The electron-doped silicene under the influence of the biaxial tensile strain is predicted to be the phonon-mediated superconductor. By using the Eliashberg formalism, we investigate the thermodynamic properties of the superconducting…
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 $T_c$…
Located at crystal voids, interstitial anion electrons (IAEs) have diverse topologies, which may be tuned to achieve new properties. Elucidating the role of IAEs in electron-phonon coupling (EPC), and using it to design new electride…
We study superconductivity in doped solid picene (C22H14) with linear response calculations of the phonon spectrum and electron-phonon (ep) interaction. We show that the coupling of the high-energy C bond-stretching phonons to the {\pi}…
Hydrogen and lithium functionalization of two-dimensional (2D) materials offers a promising route to enhance electronic properties and induce superconductivity. Here, we employ first-principles calculations to explore the phase stability…
Density functional theory calculations have been used to identify stable layered Li-$M$-B crystal structure phases derived from a recently proposed binary metal-sandwich (MS) lithium monoboride superconductor. We show that the MS lithium…