Related papers: Ab Initio Studies on Interactions in K$_3$C$_{60}$…
Very recently carbon-rich NaC6 with sodalite-like structure has been predicted to show superconducting transition temperature above 100 K at relatively low applied (compared to high-Tc hydrides) hydrostatic pressures. We have investigated…
Alkali metal-intercalated C$_{60}$, $A_3$$C_{60}$ ($A$ = K, Rb, Cs, and their combinations), holds significant potential for practical applications due to its high superconducting transition temperature (33 K), high upper critical field…
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 $T_c$…
The discovery of a superconducting phase in sulfur hydride under high pressure with a critical temperature above 200 K has provided a new impetus to the search for even higher $T_c$. Theory predicted and experiment confirmed that the phase…
More than a century after discovery, the theory of conventional superconductivity remains incomplete. While the importance of electron-phonon coupling is understood, a controlled first-principles treatment of Coulomb interaction is lacking.…
Motivated by unexpected reports of a 26 K superconducting transition in elemental titanium at high pressure, we carry out an accurate ab-initio study of its properties to understand the rationale for this observation. The critical…
Superconductivity of doped SrTiO3 is proven to be a particular case of the broader concept of the non-adiabatic pairing mediated by phonons with frequency comparable or larger the Fermi energy. We argue that, for carrier concentrations…
The uniquely characteristic macrostructures of binary hydrogen-clathrate compounds $M$H$_\textrm{n}$ formed at high pressure, a cage of hydrogens surrounding a central-atom host, is theoretically predicted in various studies to include…
We propose to raise the critical temperature $T_c$ for superconductivity in doped C$_{60}$ molecular crystals by increasing the electronic density of states at the Fermi level $N(E_F)$ and thus the electron-phonon coupling constant in…
The discovery in 1991 of high temperature superconductivity (SC) in A3C60 compounds, where A is an alkali ion, has been initially ascribed to a BCS mechanism, with a weak incidence of electron correlations. However various experimental…
Hydrogen-based compounds have attracted significant attention in recent years due to the discovery of conventional superconductivity with high critical temperature under high pressure, rekindling hopes for searching room temperature…
Alkali-fulleride superconductors with a maximum critical temperature Tc of 40 K exhibit similar electronic phase diagram with unconventional high-Tc superconductors where the superconductivity resides proximate to a magnetic Mott-insulating…
An analytical method of studying strong long-range electron-phonon and Coulomb interactions in complex lattices is presented. The method is applied to a perovskite layer with anisotropic coupling of holes to the vibrations of apical atoms.…
For field-effect-doped fullerenes it was reported that the superconducting transition temperature Tc is markedly larger for C60.2CHX_3 (X=Cl, Br) crystals, than for pure C60. Initially this was explained by the expansion of the volume per…
Unconventional superconductivity in bilayer graphene has been reported for twist angles $\theta$ near the first magic angle and charged electrostatically with holes near half filling of the lower flat bands. A maximum superconducting…
Electron Spin Resonance and optical reflectivity measurements demonstrate a metal-insulator transition in Na_2CsC_60 as the system passes from the low temperature simple cubic to the high temperature {\it fcc} structure above 300 K. The…
Alkali metals display unexpected properties at high pressure, including emergence of low symmetry crystal structures, that appear to occur due to enhanced electronic correlations among the otherwise nearly-free conduction electrons. We…
It is a matter of current debate whether the gate-tunable superconductivity in twisted bilayer graphene is phonon-mediated or arises from electron-electron interactions. The recent observation of the strong coupling of electrons to…
Correlated materials are extremely sensitive to external stimuli, such as temperature or pressure. Describing the electronic properties of such systems often requires applying many-body techniques to effective low energy problems in the…
We present a comprehensive computational investigation of electron-phonon interactions in MXH$_3$ hydride compounds, where $M$ represents alkali and post-transition metals, and $X$ denotes 3$d$, 4$d$, and 5$d$ transition metals. Our density…