Related papers: Origin of the pressure-dependent T$_c$ valley in s…
Simple cubic phosphorus exhibits superconductivity with a maximum $T_c$ of up to 12 K under pressure. The pressure dependence of $T_c$ cannot be consistently explained with a simple electron-phonon mechanism, which has stimulated…
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…
A recent experiment by Shimizu et al. has provided evidence of a superconducting phase in hcp Fe under pressure. To study the pressure-dependence of this superconducting phase we have calculated the phonon frequencies and the…
Two recent experiments [M. Somayazulu $et$ $al$., Phys. Rev. Lett. ${\bf 122}$, 027001 (2019) and A. P. Drozdov $et$ $al$., Nature ${\bf 569}$, 528 (2019)] reported the discovery of superconductivity in the fcc phase of LaH$_{10}$ at a…
In this paper, we present pressure dependent structural parameters and electronic structure of ThFeAsN superconductor. There are no anomalies in the structural parameters as well as elastic constants with hydrostatic pressure which is…
It is well known that the electronic structure of hole-doped cuprate superconductors is tunable through both chemical doping and external pressure, which frequently offer us new insights of understanding on the high-Tc superconducting…
Electron-lattice interactions play a prominent role in quantum materials, making a deeper understanding of direct routes to phonon-mediated high-transition-temperature ($T_{\mathrm{c}}$) superconductivity desirable. However, it has been…
The phase diagrams of correlated systems like cuprates or pnictides high-temperature superconductors are characterized by a topological change of the Fermi surface under continuous variation of an external parameter, the so-called Lifshitz…
We calculate Tc map in region of weak electron-phonon coupling based on simple phonon spectrum. By using linear-response method and density functional theory, we calculate phonon spectra and Eliashberg functions of simple metals under…
The effect of hydrostatic pressure on the electronic structures of iron pnictide superconducting compounds LiFeAs and NaFeAs through density functional theory based first principles studies are presented, using the predicted crystal…
The electronic structure and phase stability of paramagnetic FeSe is computed by using a combination of ab initio methods for calculating band structure and dynamical mean-field theory. Our results reveal a topological change (Lifshitz…
The discovery of superconductivity at 203K in SH$_3$ is an important step toward higher values of $T_c$. Predictions based on state-of-the-art DFT for the electronic structure, including one preceding experimental confirmation, showed the…
The mechanisms for strong electron-phonon coupling predicted for hydrogen-rich alloys with high superconducting critical temperature ($T_c$) are examined within the Migdal-Eliashberg theory. Analysis of the functional derivative of $T_c$…
We report electric field-controlled modulation of the Fermi surface topology and explore its effects on the superconducting state in alternating-angle twisted quadrilayer graphene (TQG). The unique combination of flat and dispersive bands…
We study the hybrid excitations due to the coupling between surface optical phonons of a polar insulator substrate and plasmons in the valley-spin-polarized metal phase of silicene under an exchange field. We perform the calculations within…
In a semimetal, both electron and hole carriers contribute to the density of states at the Fermi level. The small band overlaps and multi-band effects give rise to many novel electronic properties, such as relativistic Dirac fermions with…
The pressure dependence of the structural ($T_s$), antiferromagnetic ($T_m$), and superconducting ($T_c$) transition temperatures in FeSe is investigated on the basis of the 16-band $d$-$p$ model. At ambient pressure, a shallow hole pocket…
The origin of enhanced superconductivity over 50 K in the recently discovered FeSe monolayer films grown on SrTiO$_{3}$ (STO), as compared to 8 K in bulk FeSe, is intensely debated. As with the ferrochalcogenides A$_{x}$Fe$_{2-y}$Se$_{2}$…
We report a detailed theoretical study of the electronic structure, spectral properties, and lattice parameters of bulk FeSe under pressure using a fully charge self-consistent implementation of the density functional theory plus dynamical…
Eliashberg theory (ET) generalized for the account of the peculiar properties of the finite zone width electron-phonon (EP) systems with the non constant electron density of states, the electron-hole nonequivalence, chemical potential…