Related papers: A first-principles study of superconductivity on R…
In this work, we analyze the feasibility of room-temperature superconductivity in the lanthanum-scandium hydride $\textit{P6/mmm}$-LaSc$_2$H$_{24}$. We demonstrate that the electron-phonon coupling calculations performed using the…
Calculations of the electron-phonon interaction in the alkali metals, Potassium and Rubidium, using the results of band theory and BCS theory-based techniques suggest that at high pressures K and Rb would be superconductors with transition…
Migdal-Eliashberg theory is one of the state-of-the-art methods for describing conventional superconductors from first principles. However, widely used implementations assume a constant density of states around the Fermi level, which…
The nature of the coupling leading to superconductivity in layered materials such as high-Tc superconductors and graphite intercalation compounds (GICs) is still unresolved. In both systems, interactions of electrons with either phonons or…
Superconducting transition temperatures ($T_c$'s) of MgB$_2$, Mg$_{1-x}$Ca$_x$B$_2$, Mg$_{1-x}$Na$_x$B$_2$, and Mg$_{1-x}$Al$_x$B$_2$ are studied within the McMillan approximation using electronic and structural information obtained from…
We use cluster Dynamical Mean Field Theory to study the simplest models of correlated electrons, the Hubbard model and the t-J model. We use a plaquette embedded in a medium as a reference frame to compute and interpret the physical…
The transition metal nitride BaHfN$_2$, which consists of weakly bonded neutral slabs of closed shell ions, has structural and chemical similarities to other layered nitrides which have impressive superconducting T$_c$ when electron doped:…
We investigate the electronic structure of (Sr$_{1-x}$La$_x$)$_2$RhO$_4$ using a combination of the density functional and dynamical mean-field theories. Unlike the earlier local density approximation plus Hubbard $U$ (LDA+U) studies, we…
Hydrogen-rich compounds have been extensively studied both theoretically and experimentally in the quest for novel high-temperature superconductors. Reports on sulfur-hydride attaining metallicity under pressure and exhibiting…
Doped SrTiO$_3$, one of the most dilute bulk systems to display superconductivity, is perhaps the first example of an unconventional superconductor, as it does not fit into the standard BCS paradigm. More than five decades of research has…
We have performed density functional calculations in conjunction with the linearized Migdal-Eliashberg equations and the functional derivative approach, which takes into account the energy-range dependence of the density of states at the…
Arsenic doping in silicides has been much less studied compared with phosphorus. In this study, superconductivity is successfully induced by As doping in Mo$_5$Si$_3$. The superconducting transition temperature ($T_c$) reaches 7.7 K, which…
We study within a first-principle approach the band structure, vibrational modes and electron-phonon coupling in boron, aluminum and phosphorus doped silicon in the diamond phase. Our results provide evidences that the recently discovered…
Looking for superconductors with higher transition temperature requires a guiding principle. In conventional superconductors, electrons pair up into Cooper pairs via the retarded attraction mediated by electron-phonon coupling.…
A diamond anvil cell (DAC) which can generate extremely high pressure of multi-megabar is promising tool to develop a further physics such a high-transition temperature superconductivity. However, electrical transport measurements, which is…
Since the discovery of superconductivity at 200 K in H3S [1] similar or higher transition temperatures, Tcs, have been reported for various hydrogen-rich compounds under ultra-high pressures [2]. Superconductivity was experimentally proved…
Superconductivity is caused by the interaction between electrons by the exchange of collective bosonic excitations, however, this bosonic glue forming electron pairs is manifested itself by the coupling strength of the electrons to…
Sr2IrO4 was predicted to be a high temperature superconductor upon electron doping since it highly resembles the cuprates in crystal structure, electronic structure and magnetic coupling constants. Here we report a scanning tunneling…
We have studied the effect of Iridium doping (Rh$_{17-x}$Ir$_{x}$S$_{15}$) in the Rhodium sites of the strongly correlated superconductor Rh$_{17}$S$_{15}$. Even at low levels of doping (x = 1 and 2) we see a drastic change in the…
The search for semiconductors with high thermoelectric figure of merit has been greatly aided by theoretical modeling of electron and phonon transport, both in bulk materials and in nanocomposites. Recent experiments have studied…