Related papers: Novel 122-type Ir-based superconductors BaIr2Mi2 (…
Bulk superconductivity was discovered in BaRh2P2 (Tc = 1.0 K) and BaIr2P2 (Tc = 2.1 K), which are isostructural to (Ba,K)Fe2As2, indicative of the appearance of superconductivity over a wide variety of layered transition metal pnictides.…
Heat capacity, resistivity, and magnetic susceptibility measurements confirm bulk superconductivity in single crystals of BaIr$_2$P$_2$ (T$_c$=2.1K) and BaRh$_2$P$_2$ (T$_c$ = 1.0 K). These compounds form in the ThCr$_2$Si$_2$ (122)…
Employing the first-principles computations based on the density functional theory (DFT), we have investigated the structural, mechanical, electronic, bonding, optical and thermodynamics properties of newly discovered bulk superconductors…
Here we report the synthesis and discovery of superconductivity in a novel ternary iridium-arsenide compound BaIr2As2. The polycrystalline BaIr2As2 sample was synthesized by a high temperature and high pressure method. Crystal structural…
The iron arsenide RbFe_2As_2 with the ThCr_2Si_2-type structure is found to be a bulk superconductor with T_c=2.6 K. The onset of diamagnetism was used to estimate the upper critical field H_c2(T), resulting in dH_c2/dT=-1.4 T/K and an…
We report single crystal synthesis, specific heat and resistivity measurements and electronic structure calculations for BaCr$_2$As$_2$. This material is a metal with itinerant antiferromagnetism, similar to the parent phases of Fe-based…
RbFe2As2 has recently been reported to be a bulk superconductor with Tc = 2.6 K in the undoped state, in contrast to undoped BaFe2As2 with a magnetic ground state. We present here the results of the first-principles calculations of the…
BaPd2As2 belongs to 122 pnictide group, famous for exhibiting superconductivity at high temperatures and other electronic correlations. Unlike the 122 iron arsenides, BaPd2As2 exhibits superconductivity at low temperature when realized in…
This paper presents the comparative study of LDA calculated electronic structure of new isostructural to iron based systems superconductors (Sr,Ca)Pd2As2 with Tc about 1K and similar but structurally different system BaPd2As2. Despite…
The ternary iron arsenide BaFe2As2 becomes superconducting by hole doping, which was achieved by partial substitution of the barium site with potassium. We have discovered bulk superconductivity up to Tc = 38 K in (Ba1-xKx)Fe2As2 with x =…
Analogous to cuprate high-Tc superconductors, a NiP-based compound system has several crystals in which the Ni-P layers have different stacking structures. Herein, the properties of BaNi2P2 are reported. BaNi2P2 has an infinite-layer…
We investigate the structural, electronic, and magnetic properties of the hypothetical compound BaFePn2 (Pn = As and Sb), which is isostructural to the parent compound of the high temperature superconductor LaFeAsO1-xFx. Using density…
A new iron-based superconductor (Ca,Pr)FeAs2 was discovered. Plate-like crystals of the new phase were obtained and crystal structure was investigated by single-crystal X-ray diffraction analysis. The structure was identified as the…
ThCr2Si2-type Ru-based superconductors LaRu2P2 and LaRu2As2 with Tc ~ 4 K and 7.8 K respectively have been reported very recently. Using the first principles method we investigate the details physical and superconducting properties…
The electronic structures of four semiconductor compounds BaCu2S2, BaCu2Se2, BaAg2S2, and BaAg2Se2 are studied by density functional theory using both semi-local and hybrid functionals. The ionization energies and electron affinities were…
While the layered 122 iron arsenide superconductors are highly anisotropic, unconventional, and exhibit several forms of electronic orders that coexist or compete with superconductivity in different regions of their phase diagrams, we find…
SrPt2As2 is a novel arsenide superconductor, which crystallizes in the CaBe2Ge2-type structure as a different polymorphic form of the ThCr2Si2-type structure. SrPt2As2 exhibits a charge-density-wave (CDW) ordering at about 470 K and enters…
The electronic structures of Ba(Fe,Ru)$_2$As$_2$ and Sr(Fe,Ir)$_2$As$_2$ are investigated using density functional calculations. We find that these systems behave as coherent alloys from the electronic structure point of view. In…
BaFe2As2 is the parent compound of the '122' iron arsenide superconductors and crystallizes with the tetragonal ThCr2Si2 type structure, space group I4/mmm. A spin density wave transition at 140 K is accompanied by a symmetry reduction to…
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…