Related papers: Electron-Phonon or Hole Superconductivity in $MgB_…
Using density-functional-based methods, we show that the hole-doped Li_{x}BC and Na_{x}BC in P6_{3}/mmc crystal structure and C_{x} in graphite structure are capable of showing superconductivity, possibly with a T_{c} much higher than that…
Based on ab-initio calculated parameters, we apply a theoretical model on the iron-based BaFe2As2 superconductor that takes into account dramatic enhancements of the electron-phonon coupling of soft transverse phonons in the FeAs layers and…
The normal state and superconducting properties of MgB2 and Mg1-xAlxB2 are discussed based on structural, transport, and high pressure experiments. The positive Seebeck coefficient and its linear temperature dependence for Tc<T<160 K…
The hydrostatic pressure effect on the newly discovered superconductor MgB2 has been determined. The transition temperature Tc was found to decrease linearly at a large rate of -1.6 K/GPa, in good quantitative agreement with the ensuing…
This work presents an analysis of the functional derivative of the superconducting transition temperature T$_c$ with respect to the electron-phonon coupling function $\alpha^2F(\omega)$ [$\delta T_c/\delta \alpha^2$F($\omega$)] and…
Predicting the critical temperature $T_c$ of new superconductors is a notoriously difficult task, even for electron-phonon paired superconductors for which the theory is relatively well understood. Early attempts by McMillan and Allen and…
Boron in MgB_2 forms layers of honeycomb lattices with magnesium as a space filler. Band structure calculations indicate that Mg is substantially ionized, and the bands at the Fermi level derive mainly from B orbitals. Strong bonding with…
Superconductivity occurs in electrochemically doped molybdenum dichalcogenides samples thicker than four layers. While the critical temperature (Tc) strongly depends on the field effect geometry (single or double gate) and on the sample…
Phonon or electron mediated weak BCS attraction is enough to have high critical temperature if a van Hove anomaly is at work. This could apply to electron doped compounds and also to compounds with CuO$_2$ planes overdoped in holes, where…
Utilizing Migdal-Eliashberg theory of superconductivity within the first-principles calculations, we work out the role of electron-phonon coupling (EPC) and anisotropic superconducting properties of a recently discovered [Appl. Phys. Lett.…
The theory of hole superconductivity predicts that in superconductors the charged superfluid is about a million times more rigid than the normal electron fluid. We point out that this physics should give rise to large changes in the bulk…
Pseudogap phase in superconductors continues to be an outstanding puzzle that differentiates unconventional superconductors from the conventional ones (BCS-superconductors). Employing high resolution photoemission spectroscopy on a highly…
The electron-phonon coupling in ultrafast heating systems is studied within the framework of Boltzmann transport equation (BTE) with coupled electron and phonon transport. A discrete unified gas kinetic scheme is developed to solve the BTE,…
We have studied the changes in the electronic structure and the superconducting transition temperature T_c of Mg(B_{1-x}C_{x})_{2} alloys as a function of x with 0\leq x\leq 0.3. Our density-functional-based approach uses coherent-potential…
In order to understand the unexpected superconducting behavior of MgB$_2$ compound we have made electronic structure calculations for MgB$_2$ and closely related systems. Our calculated Debye temperature from the elastic properties indicate…
ThCoC$_2$ is a non-BCS, noncentrosymmetric superconductor with $T_c \simeq 2.5$~K, in which pairing mechanism was suggested to be either spin fluctuations or the electron-phonon coupling. Earlier experimental work revealed that $T_c$ can be…
Pursuing higher-temperature superconductors under ambient pressure continues to be a prominent topic in materials discovery. Isomorphic structures like MgB2 exhibit potential for conventional BCS-type superconductivity, but their transition…
We theoretically explore the superconducting critical temperature of hole doped blue phosphorene. Implementing the density functional theory calculations, we show that for the hole doped blue phosphorene, the isotropic superconducting state…
We present a workflow that iteratively combines \textit{ab-initio} calculations with a machine-learning (ML) guided search for superconducting compounds with both dynamical stability and instability from imaginary phonon modes, the latter…
Heavy carbon doping of MgB$_2$ is studied by first principles electronic structure studies of two types, an ordered supercell (Mg(B$_{1-x}$C$_{x}$)$_{2}$,x=0.0833) and also the coherent potential approximation method that incorporates…