Related papers: FeZnSb$_2$: A possible NiAs-type hexagonal superco…
By means of first-principles calculations, we studied stable lattice structures and estimated superconducting transition temperature of CaSi$_2$ at high pressure. Our simulation showed stability of the AlB$_2$ structure in a pressure range…
We use neutron scattering to study the spin and lattice structure on single crystals of SrFe2As2, the parent compound of the FeAs based superconductor (Sr,K)Fe2As2. We find that SrFe2As2 exhibits an abrupt structural phase transitions at…
We elucidate the origin of the phonon-mediated superconductivity in 2$H$-NbS$_2$ using the ab initio anisotropic Migdal-Eliashberg theory including Coulomb interactions. We demonstrate that superconductivity is associated with Fermi surface…
We present LDA calculated electronic structure of recently discovered superconductor SrPt2As2 with Tc=5.2K. Despite its chemical composition and crystal structure are somehow similar to FeAs-based high-temperature superconductors, the…
The shandite family of solids, with hexagonal structure and composition A3M2X2 (A = Ni,Co,Rh,Pd; M = Pb,In,Sn,Tl; X = S,Se), has attracted recent research attention due to promising applications as thermoelectric materials. Herein we…
The emergence of unconventional superconductivity is generally considered to be related to spin fluctuations. Unveiling the intriguing behaviors of spin fluctuations in parent compounds with layered transition-metal ions may shed light on…
Vibration properties of Zn(1-x)Be(x)Se, a mixed II-VI semiconductor haracterized by a high contrast in elastic properties of its pure constituents, ZnSe and BeSe, are simulated by first-principles calculations of electronic structure,…
We have performed polarized Raman scattering measurements on the newly discovered superconductor Nd(O,F)BiS$_2$ ($T_c = 4$ K). We observe 2 Raman active modes, with frequencies in accordance with first-principles calculations. One A$_{1g}$…
Nickelate superconductors are outstanding materials with intriguing analogies with the cuprates. These analogies suggest that their superconducting mechanism may be unconventional, although this fundamental question is currently under…
Polycrystalline samples of F-substituted LnOBiS2 (Ln = La, Ce, Pr, Nd, Yb) compounds were synthesized by solid-state reaction. The samples were characterized by x-ray diffraction measurements and found to have the ZrCuSiAs crystal…
By means of density functional theory the electronic structure of the MgB2 superconductor was characterised and compared with that of the related iso-structural systems: AlB2, ZrB2, NbB2, and TaB2. Using the full-potential linearized…
We report here first extensive measurements of the temperature dependence of phonon density of states of BaFe2As2, the parent compound of the newly discovered FeAs-based superconductors, using inelastic neutron scattering. The experiments…
SnTaS2 is a recently discovered layered semimetal exhibiting type-II low transition temperature superconductivity. Except some superconductivity related parameters, most of the physical properties, namely, elastic, mechanical, bonding,…
Here we report the electronic structure of FeS, a recently identified iron-based superconductor. Our high-resolution angle-resolved photoemission spectroscopy studies show two hole-like ($\alpha$ and $\beta$) and two electron-like ($\eta$…
We present a combined density-functional-perturbation-theory and inelastic neutron scattering study of the lattice dynamical properties of YNi2B2C. In general, very good agreement was found between theory and experiment for both phonon…
We report on orbital-dependent quasiparticle dynamics in EuFe$_2$As$_2$, a parent compound of Fe-based superconductors and a novel way to experimentally identify this behavior, using time- and angle-resolved photoelectron spectroscopy…
We report scanning tunneling microscopy studies of the local structural and electronic properties of the iron selenide superconductor K0.73Fe1.67Se2 with TC = 32K. On the atomically resolved FeSe surface, we observe well-defined…
It is generally believed that superconducting materials are divided into two classes: `conventional' and `unconventional'. Conventional superconductors (the elements and thousands of compounds including $MgB_2$) are described by…
The structural stability and electronic properties of the ternary intermetallic compounds NiSnM (M = Ti, Zr, Hf) and the closely related Heusler compounds Ni$_2$SnM are discussed using the results of ab initio pseudopotential total energy…
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…