Related papers: Computational electron-phonon superconductivity: f…
Inspired by the first boron-carbon (B-C) clathrate SrB$_3$C$_3$ and the ternary borohydride KB$_2$H$_8$ [Miao et al., Phys. Rev. B 104 L100504 (2021)], we have performed first-principles density functional theory calculations of the…
We show an efficient way to compute the electron-phonon coupling constant, $\lambda$, and the superconducting transition temperature, Tc from first-principles calculations. This approach gives rapid convergence of Tc with respect to the…
Using ab initio methods, we have studied the electron-phonon interaction in compressed, body-centered cubic (bcc) yttrium, which is predicted to be stable at 280 GPa [Melsen et al, Phys. Rev. B 48, 15574 (1993)]. We find that compressed,…
Hydrogen-rich compounds have been extensively studied both theoretically and experimentally in the quest for novel high-temperature superconductors. Reports on sulfur-hydride attaining metallicity under pressure and exhibiting…
Hydrogen-based superconductors provide a route to the long-sought goal of room-temperature superconductivity, but the high pressures required to metallize these materials limit their immediate application. For example, carbonaceous sulfur…
Room-temperature superconductor has been a century-long dream of humankind. Recent research on hydrogen-based superconductors (e.g., CaH6, LaH10, etc.) at high-pressure conditions lifts the record of superconducting critical temperature…
In conventional superconductors, the electron-phonon coupling plays a dominant role in pairing the electrons and generating superconductivity. In high temperature cuprate superconductors, the existence of the electron coupling with phonons…
We employed a machine-learning assisted approach to search for superconducting hydrides under ambient pressure within an extensive dataset comprising over 150 000 compounds. Our investigation yielded around 50 systems with transition…
The electronic structure, lattice dynamics, and electron-phonon coupling (EPC) of the newly discovered (Ba,K)SbO$_3$ superconductors are investigated by first-principles calculations. The EPC of (Ba,K)SbO$_3$ is significantly enhanced by…
Since pivotal experimental discovery of the near-room-temperature superconductivity (NRTS) in highly-compressed sulphur hydride by Drozdov et al (2015 Nature 525 73-76), more than a dozen of binary and of ternary hydrogen-rich phases…
After the decade-long exhaustive study of binary high-Tc superconducting hydrides, the frontier of this stimulating research field has recently shifted to ternary hydrides with much expanded conformational space in search of coveted…
Nickel oxide superconductors offer an alternative playground for understanding the formation of Cooper pairs in correlated materials such as the famous cuprates. By studying the La$_{n+1}$Ni$_n$O$_{2n+2}$ phase diagram on the basis of…
Hydrogenation is known to tune superconductivity in a wide range of materials. While its microscopic role has been clarified in phonon-mediated superconductors such as hydrogenated MgB2, LaH10, and H3S, much less is known for hydrogenated…
Recent studies of hydrogen-dominant (superhydride) materials, such as LaH10 have led to putative discoveries of near-room temperature superconductivity at high pressures, with a superconducting transition temperature (Tc) of 250 K observed…
The dream of room temperature superconductors has inspired intense research effort to find routes for enhancing the superconducting transition temperature (Tc). Therefore, single-layer FeSe on a SrTiO3 substrate, with its extraordinarily…
We propose a new mixed-mechanism for superconductors, which addresses not only low- but also high-, and even possible room-temperature superconductivity. We use this mixed-mechanism to explain superconductivity in different temperature…
Utilizing Migdal-Eliashberg theory of superconductivity within the first-principles calculations, we work out the role of electron-phonon coupling (EPC) and anisotropic superconducting properties of a recently discovered [Appl. Phys. Lett.…
Soon after the discovery of the first high temperature superconductor by Georg Bednorz and Alex Mueller in 1986 the late Sir Nevill Mott answering his own question "Is there an explanation?" [Nature v 327 (1987) 185] expressed a view that…
Fundamental upper bounds on the electron-phonon interaction strength and superconducting transition temperature $T_c$ in metals are established based on the intrinsic instability of the equilibrium between electrons and the crystal lattice…
Unlike ordinary conductors and semiconductors, which conduct electricity through individual electrons, superconductors usually conduct electricity through electron pairs, known as Cooper pairs. Even after 4 decades of intense study, no one…