Related papers: Imaginary phonon modes and phonon-mediated superco…
A sequence of structural transitions occurring in the quasi-one-dimensional (1D) 3d1 system BaVS3 at low temperature was investigated by high resolution synchrotron X-ray diffraction. The orthorhombic Cmc21 structure of the…
We present a detailed study of the lattice dynamics and electron-phonon coupling for a (3,3) carbon nanotube which belongs to the class of small diameter based nanotubes which have recently been claimed to be superconducting. We treat the…
Inspired by the synthesis of XB3C3 (X= Sr, La) compounds in the bipartite sodalite clathrate structure, density functional theory (DFT) calculations are performed on members of this family containing up to two different metal atoms. A…
Understanding the ideal limit of interfacial thermal conductance (ITC) across semiconductor heterointerfaces is crucial for optimizing heat dissipation in practical applications. By employing a highly accurate and efficient machine-learned…
The competition between superconductivity and other ground states of solids is one of the challenging topics in condensed matter physics. Apart from high-temperature superconductors [1,2] this interplay also plays a central role in the…
We report inelastic light scattering experiments on superconductor Ce0.6Y0.4FeAsO0.8F0.2 from 4K to 300K covering the superconducting transition temperature Tc ~ 48.6K. A strong evidence of the superconductivity induced phonon…
Motivated by advances in hydrogen-rich superconductors in the past decades, we conducted variable-composition structural searches in Mo-H binary system at high pressure. A new composition-pressure phase diagram of thermodynamically stable…
Based on first-principles lattice dynamics and electron-phonon coupling calculations, B2C sheet is predicted to be a two-dimensional (2D) phonon-mediated superconductor with a relatively high transition temperature (Tc). The electron-phonon…
The trivalent alkali fullerides A$_3$C$_{60}$, where C$_{60}$ are a well established family of molecular superconductors. The electron pairing has s-wave symmetry and is due to standard electron-phonon coupling, in particular by Jahn-Teller…
The tetradymite compound BiSbTeSe$_2$, is one of the most bulk-insulating three-dimensional topological insulators, which makes it important in the topological insulator research. It is a member of the solid-solution system…
Two possible phases of superhard material BC3 originating from the cubic diamond structure are investigated by ab initio pseudopotential density functional method using generalized gradient approximation (GGA). We calculate their elastic…
First-principles calculations were carried out to provide a chemical basis for proposed structures associated with the recently reported room-temperature superconductivity in a carbonaceous sulfur hydride material under pressure.…
The c-axis polarized phonon spectra of single crystals of YBCO_{6+x} have been measured for the doping range x=0.5 -> 0.95, between 10 K and 300 K. The low background electronic conductivity, determined by Kramers-Kronig analysis of 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.…
It is well known that conventional harmonic lattice dynamics cannot be applied to energetically unstable crystals at 0 K, such as high temperature body centered cubic (BCC) phase of crystalline Zr. Predicting phonon spectra at finite…
Cuprates are promising candidates for study in developing higher temperature superconductors. A thorough understanding of a material's phonon modes enables further investigation of its emergent properties, however, no complete reference of…
Recently, the films of the Ruddlesden-Popper (RP) nickelate superconductors, in which the (La,Pr)$_3$Ni$_2$O$_7$ system exhibits a remarkable transition temperature $T_c$ exceeding 40 K, were synthesized at ambient pressure. We…
The ubiquitous tendency of superconducting cuprates to form charge density waves (CDWs) has reignited interest in the nature of their electron-phonon interaction and its role in shaping their phase diagrams. While pronounced dispersion…
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,…
We present a comprehensive first--principles study of the structural stability and superconducting behavior of Li$_2$PdH$_2$ under high pressure. Using random structure searching and phonon calculations, we identify a pressure--induced…