Related papers: K2Mo3As3 is a Multi-Gap Electron-Phonon Supercondu…
We investigate the structural, electronic, and superconducting properties of a hexagonal BP3 monolayer using first-principles calculations combined with anisotropic Migdal-Eliashberg theory. The optimized structure exhibits a stable,…
We study the newly discovered Pt phosphides $A$Pt$_3$P ($A$=Sr, Ca, La) [ T. Takayama et al. Phys. Rev. Lett. 108, 237001 (2012)] using first-principles calculations and Migdal-Eliashberg theory. Given the remarkable agreement with the…
We study a twisted Hubbard tube modeling the [CrAs] structure of quasi-one-dimensional superconductors A2Cr3As3 (A = K, Rb, Cs). The molecular-orbital bands emerging from the quasi-degenerate atomic orbitals are exactly solved. An effective…
The anisotropic superconducting state properties in Cu0.03TaS2 have been investigated by magnetization, magnetoresistance, and specific heat measurements. It clearly shows that Cu0.03TaS2 undergoes a superconducting transition at TC = 4.03…
The nature of spin-density wave and its relation with superconductivity are crucial issues in the newly discovered Fe-based high temperature superconductors. Particularly it is unclear whether the superconducting phase and spin density wave…
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 report a high-pressure 75As NMR study on the heavily hole-doped iron pnictide superconductor KFe2As2 (Tc~3.8 K). The low-energy spin fluctuations are found to decrease with applied pressure up to 2 GPa, but then increase again, changing…
I present the results of first principles calculations of the phonon dispersions and electron-phonon coupling for BaTi$_2$Sb$_2$O. The phonon dispersions show a weak lattice instability near the zone corners that leads to a charge-density…
The band structure of the new perovskite-like superconductor MgCNi$_{3}$ was studied by the self-consistent FP-LMTO method. The superconducting properties of MgCNi$_{3}$ are associated with an intensive peak in the density of Ni3d states…
We find evidence that the newly discovered Fe-based superconductor KCa$_2$Fe$_4$As$_4$F$_2$ ($T_c~=~33.36(7)$~K) displays multigap superconductivity with line nodes. Transverse field muon spin rotation ($\mu$SR) measurements show that the…
Metal phosphorous trichalcogenides, MPX3, is a group of van der Waals materials with rich electronic properties and even exotic magnetic behavior. These properties can be well manipulated by pressure/strain via effective control of…
Recently the kagome compounds have inspired enormous interest and made some great progress such as in the field of superconductivity and topology. Here we predict a different kagome magnesium triboride (MgB3) superconductor with a…
We use inelastic neutron scattering to study magnetic excitations of the FeAs-based superconductor BaFe$_{1.9}$Ni$_{0.1}$As$_2$ above and below its superconducting transition temperature $T_c=20$ K. In addition to gradually open a spin gap…
The recently discovered APt$_3$P (A=Sr,Ca,La) family of superconductors offers a platform to study frequency dependent superconducting phenomena as the electron-phonon coupling varies from weak to strong. Here we perform ab initio…
A first-principles density-functional-theory method has been used to reinvestigate the mechanical and dynamical stability of the metallic phase of AlH3 between 65-110 GPa. The electronic properties and phonon dynamics as a function of…
Realistic selfconsistent calculations of unconventional superconductivity in a heavy-fermion material are reported. Our calculations for UPd$_2$Al$_3$ start from accurate energy band dispersions that are computed within the local…
The Fermi surfaces of Fe-pnictide superconductors are fairly two-dimensional (2D), and it has thus come as a surprise that recent penetration depth and thermal conductivity measurements on systems of the 122 type have reported c-axis…
Superconducting pnictides are widely found to feature spin-singlet pairing in the vicinity of an antiferromagnetic phase, for which nesting between electron and hole Fermi surfaces is crucial. LiFeAs differs from the other pnictides by (i)…
Layered, non-centrosymmetric, heavy element PbTaSe2 is found to be superconducting. We report its electronic properties accompanied by electronic structure calculations. Specific heat, electrical resistivity and magnetic susceptibility…
We present detailed electronic structure calculations for CaFe2As2. We investigate in particular the `collapsed' tetragonal and orthorhombic regions of the temperature-pressure phase diagram and find properties that distinguish CaFe2As2…