Related papers: Strong Anharmonic and Quantum Effects in Pm-3n AlH…
Cubic Pm-3n Nb3Sn0.92 superconductor (Tc ~ 16 K) was found to exhibit tetragonal instabilities at the superconducting state (T = 10 K). These instabilities are manifested through the appearance of reflections which are forbidden in the…
A maximum superconductive transition temperature $T_\textrm{C}$ = 203.5 K has recently been reported for a sample of the binary compound tri-hydrogen sulfide (H$_\textrm{3}$S) prepared at high pressure and with room temperature annealing.…
$\beta-Ga_2O_3$ is a promising material candidate for next-generation high power devices even as its low thermal conductivity ($\kappa$) limits utilization due to an inability to sufficiently dissipate heat. Despite its importance, a…
The semimetal antimony (Sb) element doped into hydrogen has been performed theoretically to explored high-pressure crystal structure and superconductivity of antimony hydrides. The unexpected stoichiometry $\textrm{SbH}_\textrm{4}$ with…
There has been a long-standing debate about the mechanism of the unusual superconductivity in alkali-intercalated fulleride superconductors. In this work, using high-resolution angle-resolved photoemission spectroscopy, we systematically…
We calculated the superconductivity properties of alkali metals under high pressure using the results of band theory and the rigid-muffin-tin theory of Gaspari and Gyorffy. Our results suggest that at high pressures Lithium, Potassium,…
Polycrystalline samples of the recently discovered MgCNi3 superconductor were investigated by transport, ac susceptibility, dc magnetization and specific heat measurements in magnetic fields up to 16 T. Consistent results were obtained for…
Understanding and predicting lattice dynamics in strongly anharmonic crystals is one of the long-standing challenges in condensed matter physics. Here we propose a first-principles method that gives accurate quasiparticle (QP) peaks of the…
Superconductivity in Mo3Sb7 is analyzed using the combined electronic structure and phonon calculations, and the electron--phonon coupling constant \lambda_{ph}=0.54 is determined from first principles. This value explains the experimental…
An approach to compute the anharmonic peaks of the phonon dispersion curves through the ab initio calculated Hellmann-Feynman forces from a series of supercells with realistic atomic displacements of all atoms, which correspond to a given…
Due to its low atomic mass hydrogen is the most promising element to search for high-temperature phononic superconductors. However, metallic phases of hydrogen are only expected at extreme pressures (400 GPa or higher). The measurement of a…
Using first-principles variable-composition evolutionary methodology, we explored the high-pressure structures of beryllium hydrides between 0 and 400 GPa. We found that BeH$_2$ remains the only stable compound in this pressure range. The…
We perform first-principles electron-phonon calculations to evaluate the superconducting transition temperature $T_c$ for ternary superhard metals B$_2$C$_3$N and B$_4$C$_5$N$_3$. These materials are predicted to exhibit a wide distribution…
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…
All phonons in a single crystal of NaBr were measured by inelastic neutron scattering at temperatures of 10, 300 and 700 K. Even at 300 K the phonons, especially the longitudinal-optical (LO) phonons, showed large shifts in frequencies, and…
The Migdal-Eliashberg (ME) formalism provides a reliable framework for describing phonon-mediated superconductivity in the adiabatic regime, where the electronic Fermi energy exceeds the characteristic phonon energy. In this work, we go…
The search for non-centrosymmetric superconductors that may exhibit unusual physical properties and unconventional superconductivity has yielded the synthesis of a non-centrosymmetric phosphide Mg$_2$Rh$_3$P with an Al$_2$Mo$_3$C-type…
The effect of Pd doping on the superconducting phase diagram of the unconventional superconductor UPt3 has been measured by (magneto)resistance, specific heat, thermal expansion and magnetostriction. Experiments on single- and…
Alkali-doped fullerides A3C60 (A=K, Rb, Cs) are surprising materials where conventional phonon-mediated superconductivity and unconventional Mott physics meet, leading to a remarkable phase diagram as a function of the volume per C60…
The rapid variation of the superconductivity Tc in hydride sulfur (H3S) under high pressure [A. Drozdov et al, Nature 525, 73 (2015); M. Einaga et al, arXiv: 1509.03156] in a vicinity Pcr=123GPa is interpreted in terms of the 1st order…