Related papers: Electronic structure, spin-orbit interaction and e…
Superconductivity and magnetism in the non-centrosymmetric heavy fermion compound CePt$_3$Si and related materials are theoretically investigated. Based on the randam phase approximation (RPA) analysis for the extended Hubbard model we…
In this work we computed the phase diagram as a function of temperature and doping for a system of lead adatoms allocated periodically on a silicon (111) surface. This Si(111):Pb material is characterized by a strong and long-ranged Coulomb…
Materials with ultralow thermal conductivity are of great interest for efficient energy conversion and thermal barrier coating. Copper-based semiconductors such as copper chalcogenides and copper halides are known to possess extreme low…
BAs is III-V semiconductor with ultra-high thermal conductivity, but many of its electronic properties are unknown. This work applies predictive atomistic calculations to investigate the properties of BAs heterostructures, such as strain…
Using first-principle calculations, we investigate the electronic, topological and superconducting properties of Nb$_3$X (X = Ge, Sn, Sb) and Ta$_3$Y (Y = As, Sb, Bi) A15 compounds. We demonstrate that these compounds host Dirac surface…
This paper presents theoretical and experimental studies on the superconductivity of Pb${_{0.64}}$Bi$_{0.36}$ alloy, which is a prototype of strongly coupled superconductors and exhibits one of the strongest coupling under ambient pressure…
The ScAu$_2$Al superconducting Heusler-type compound was recently characterized to have the highest critical temperature of $T_c = 5.12$ K and the strongest electron-phonon coupling among the Heusler family. In this work, the electronic…
The electronic band structure of monolayer phosphorene is thoroughly studied by considering the presence of spin-orbit interaction. We employ a multiorbital Slater-Koster tight-binding approach to derive effective k.p-type Hamiltonians that…
The discovery of materials that simultaneously host different phases of matter has often initially confounded, but ultimately enhanced, our basic understanding of the coexisting types of order. The associated intellectual challenges,…
Recent experimental observations of magnetization plateau in metallic tetraboride $\textrm{TmB}_{4}$ have created a lot of interest in these class of materials. Hysteretic longitudinal resistance and anomalous Hall Effect are other…
The low-lying states of graphene contain exciting topological properties that depend on the interplay of different symmetry breaking terms. The corresponding energy gaps remained unexplored until recently, owing to the low energy scale of…
The phonon-mode decomposition of the electron-phonon coupling in the MgB2-like system Li_{1-x}BC is explored using first principles calculations. It is found that the high temperature superconductivity of such systems results from extremely…
Magnetization measurements under hydrostatic pressure up to 10.5 kbar in zirconium dodecaboride ZrB$_{12}$ superconductor ($T_c\simeq6.0$ K at $p=0$) were carried out. A negative pressure effect on $T_c$ with ${\rm d} T_c/{\rm d} p…
We demonstrate the effect of bandstructure on the superconducting properties of Pb by calculating the strong-coupling features in the optical conductivity, $\sigma(\omega)$, due to the electron-phonon interaction. The importance of momentum…
The nature of superconductivity in the dilute semiconductor SrTiO$_3$ has remained an open question for more than 50 years. The extremely low carrier densities ($10^{18}$ - $10^{20}$ cm$^{-3}$) at which superconductivity occurs suggests an…
We use the renormalization group method to examine the effect of phonon mediated interaction on d-wave superconductivity, as driven by spin fluctuations in a quasi-one-dimensional electron system. The influence of a tight-binding…
An investigation of possibilities for superconductivity mediated by spin fluctuations in some elementary metals is motivated by the recent discovery of superconductivity in the hcp high-pressure phase of iron. The electronic structure, the…
We report the synthesis and characterization of a new compound Mg$_4$Pd$_7$As$_6$, which was found to be a superconductor with $T_c=5.45$~K. Powder X-ray diffraction confirms the U$_4$Re$_7$Si$_6$ structure (space group $Im$-$3m$, no. 229)…
We present a comprehensive ab initio study of structural, electronic, lattice dynamical and electron-phonon coupling properties of the Bi(111) surface within density functional perturbation theory. Relativistic corrections due to spin-orbit…
Motivated by the observation of two distinct superconducting phases in the moir\'eless ABC-stacked rhombohedral trilayer graphene, we investigate the electron-acoustic-phonon coupling as a possible pairing mechanism. We predict the…