Related papers: Extreme Electron-Phonon Coupling in Boron-based La…
CaBi$_2$ is a recently discovered type-I superconductor with $T_c=2$~K and a layered crystal structure. In this work electronic structure, lattice dynamics and electron-phonon interaction are studied, with a special attention paid to the…
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…
The titular manuscript invites a description of the background of research on MgB$_2$,whose unique electron-phonon coupling strength and record superconducting T$_c$ for such a material at ambient pressure was demonstrated by the combined…
Linear response methods are applied to identify the increase in electron-phonon coupling in elemental yttrium that is responsible for its high superconducting critical temperature Tc, which reaches nearly 20 K at 115 GPa. While the…
We present a first principles investigation of the lattice dynamics and electron-phonon coupling of the high-T_c superconductor YBa_2Cu_3O_7 within the framework of density functional perturbation theory using a mixed-basis pseudopotential…
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…
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…
Electron-phonon coupling (EPC) in bilayer graphene (BLG) at different doping levels is studied by first-principles calculations. The phonons considered are long-wavelength high-energy symmetric (S) and antisymmetric (AS) optical modes. Both…
We report strong electron-phonon coupling in magic-angle twisted bilayer graphene (MA-TBG) obtained from atomistic description of the system including more than 10000 atoms in the moire supercell. Electronic structure, phonon spectrum, and…
Recently, a honeycomb borophene was reported to grow successfully on Al(111) surface. Since the metallic $\sigma$-bonding bands of honeycomb boron sheet play a crucial role in the 39 K superconductivity of MgB$_2$, it is physically…
This letter reports the unexpectedly strong electron-phonon coupling (EPC) and the highest $T_c$ record ($\approx$ 38 K) among the MXenes revealed in the 2H-Mo$_2$N under biaxial stress. At first, its excellent mechanical properties are…
Using the full potential linear muffin-tin orbitals (FP-LMTO) method we examine the pressure-dependence of superconductivity in the two metallic phases of Boron: bct and fcc. Linear response calculations are carried out to examine the…
Using the density-functional perturbation theory with structural optimization, we investigate the electronic structure, phonon spectra, and superconductivity of BiS2-based layered compounds LaO1-xFxBiS2. For LaO0.5F0.5BiS2, the calculated…
We study phonons in MgB2 using inelastic x-ray scattering (1.6 and 6 meV resolution). Our measurements show excellent agreement with theory for the dispersion and line-width: we clearly observe the softening and broadening of the crucial…
We perform a high-throughput screening on phonon-mediated superconductivity in ternary metal diboride structure with alkali, alkaline earth, and transition metals. We find 17 ground states and 78 low-energy metastable phases. From fast…
Room temperature Raman scattering measurements have been carried out on well characterized samples of MgB2-xCx. The Raman line corresponding to the E2g phonon mode shows progressive hardening from 620 cm-1 in pristine MgB2 to 775 cm-1 in…
Two simple bounds on the $T_c$ of conventional, phonon-mediated superconductors are derived within the framework of Eliashberg theory in the strong coupling regime. The first bound is set by the total electron-phonon coupling available…
We study superconductivity in Boron using first-principles LAPW calculations, the rigid-muffin-tin approximation and the McMillan theory. Our results point to an electron-phonon mechanism producing transition temperatures near 10K at high…
The phonon density-of-states of transition metal diborides TMB2 with TM = Ti, V, Ta, Nb and Y has been measured using the technique of inelastic neutron scattering. The experimental data are compared with ab initio density functional…
In this paper we discuss the normal and superconducting state properties of two pnictide superconductors, LaOFeAs and LaONiAs, using Migdal-Eliashberg theory and density functional perturbation theory. For pure LaOFeAs, the calculated…