Related papers: Ab Initio Studies on Interactions in K$_3$C$_{60}$…
The behavior of metals at high pressure is of great importance to the fields of shock physics, geophysics, astrophysics, and nuclear materials. In order to further understand the properties of metals at high pressures we studied the…
Topological phononic insulators are the counterpart of three-dimensional quantum spin Hall insulators in phononic systems and, as such, their topological surfaces are characterized by Dirac cone-shaped gapless edge states arising as a…
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…
We present a review of theoretical investigations into the Kohn-Luttinger nonphonon superconductivity mechanism in various 3D and 2D repulsive electron systems described by the Fermi-gas, Hubbard, and Shubin-Vonsovsky models. Phase diagrams…
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…
We consider competition of Kondo effect and s-wave superconductivity in heavy fermion and mixed valence superconductors, using the phenomenological approach for the periodic Anderson model. Similar to the well known results for…
The stability of high-pressure phases of P has been studied using density functional theory and the local density approximation. Using a linear response technique, we have calculated the phonon spectrum and electron-phonon interaction for…
Two-dimensional superconductors attract great interest both for their fundamental physics and for their potential applications, especially in the rapidly growing field of quantum computing. Despite intense theoretical and experimental…
Using first-principles density functional theory calculations, we investigate the pressure-induced quantum phase transition (QPT) from the charge density wave (CDW) to the pristine phase in the layered kagome metal CsV$_3$Sb$_5$ consisting…
We examine the effects of the low-level substitution of S atoms by C and Si atoms on the superconductivity of H$_3$S with the $Im\bar{3}m$ structure at megabar pressure. The hole doping can fine-tune the Fermi energy to reach the electronic…
A systematic ab initio search for low enthalpy phases of disilane (Si_2H_6) at high pressures was performed based on the minima hopping method. We found a novel metallic phase of disilane with Cmcm symmetry, which is enthalpically more…
The discovery of superconductivity in 3$d$-transition metal compounds with strong magnetism is interesting but rare. Especially for Mn-based compounds, there exist only very limited materials that show superconductivity. Here, we report the…
The recent discovery of high-temperature superconductivity in La$_3$Ni$_2$O$_7$ under high pressure has stimulated intensive investigations concerning its paring mechanism and a correct description of its effective low-energy physics.…
The maximum value of the superconducting transition temperature Tc due to a phonon-mediated interaction was estimated by Cohen and Anderson in 1972 from ab initio considerations, and found to be about 10 K. McMillan's semi empirical…
When the electron-phonon coupling is quadratic in the phonon coordinates, electrons can pair to form bipolarons due to phonon zero-point fluctuations, a purely quantum effect. We study superconductivity originating from this pairing…
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…
Recent experiments demonstrate a "robust superconductivity phenomenon" in niobium-based alloys, where the superconducting state remains intact and the critical temperature ($T_c$) is largely unaffected by external pressure well above tens…
For Y$_2$C$_3$ with a superconducting critical temperature (T$_c$) $\sim$18 K, zone-center imaginary optical phonon modes have been found for the high-symmetry $I$-$43d$ structure due to C dimer wobbling motion and electronic instability…
We review the recent theoretical treatment of fullerenes as pi-conjugated systems. Polaronic properties due to the Jahn-Teller type effects are mainly discussed. (1) A Su-Schrieffer-Heeger type electron-phonon model is applied to…
Since the discovery of superconductivity in the alkali-doped fullerenes \cite{hebard}, the electron-phonon interaction has been the primary suspect for superconductivity in this class of compounds. In this paper we first provide a…