Related papers: Ab initio screening for BCS-type superconductivity…

High critical temperature (T$_c$) superconductor has a great potential in many industrial applications. However, discovering a compound having high T$_c$ is still remaining a big challenge for experimental approach due to time-consuming and…

The single crystal of ThCr2Si2-type BaPd2As2 was successfully prepared by a self-flux method, and the crystal structure was characterized by X-ray diffraction method with the lattice parameters a = 4.489(2) {\AA} and c = 10.322(3) {\AA}.…

Finding viable superconducting materials is of interest to the physics community as the superconductors are the playground to manifest many appealing quantum phenomena. This work exemplifies an end-to-end materials discovery towards novel…

Borocarbide compounds with the formula RNi2B2C show interesting superconducting and magnetic properties and the coexistence of the two phenomena. BCS theory is extended to systems with underlying commensurate magnetic order. In the case of…

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…

Be-B/B-Ta based compounds are very attractive to researchers because of their high density and ultra-hardness. But ternary Be-B-Ta compounds are neither synthesized nor predicted. In this paper, variable composition evolutionary crystal…

Magnetic properties of TaB$_{2}$ were studied by means of DC and AC susceptibility measurements. It has been found that the compound becomes superconducting at T$_{c}$ = 9.5 K. From upper critical field measurements the superconducting…

Superconductivity with $T_{\rm c}$ $\simeq$ 2 K was discovered in the intermetallic binary compounds Rh$_2$Ga$_9$ and Ir$_2$Ga$_9$. This is the first observation of superconductivity in the Rh-Ga and Ir-Ga binary systems. Both compounds…

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…

A high-throughput screening using density functional calculations is performed to search for stable boride superconductors from the existing materials database. The workflow employs the fast frozen phonon method as the descriptor to…

Very recently (November, 2010, PRB, 82, 180520R), the first ThCr2Si2-type ternary superconductor K0.8Fe2Se2 with enhanced TC ~ 31 K has been discovered. This finding has stimulated much activity in search for related materials and triggered…

The structural misfit compound (PbSe)1.16(TiSe2)2 is reported. It is a superconductor with a Tc of 2.3 K. (PbSe)1.16(TiSe2)2 derives from a parent compound, TiSe2, which shows a charge density wave transition and no superconductivity. The…

We develop a multi-step workflow for the discovery of conventional superconductors, starting with a Bardeen Cooper Schrieffer inspired pre-screening of 1736 materials with high Debye temperature and electronic density of states. Next, we…

We survey the landscape of binary hydrides across the entire periodic table from 10 to 500 GPa using a crystal structure prediction method. Building a critical temperature ($T_c$) model, with inputs arising from density of states…

In this work we probe the possibility of high-temperature conventional superconductivity in the boron-carbon system, using ab-initio screening. A database of 320 metastable structures with fixed composition (50$\%$/50$\%$) is generated with…

Superconducting materials are of significant technological relevance for a broad range of applications, and intense research efforts aim at enhancing the critical temperature $T_{c}$. Intriguingly, while numerous studies have explored…

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…

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…

Superconducting bulk properties of ternary Nb2 BN are confirmed and are described by means of magnetization, electronic transport and specific-heat measurements. BCS conventional super- conductivity is found with Tc = 4.4 K. Critical fields…

We report the superconductivity of a new quaternary compound ThMo$_2$Si$_2$C, synthesized with the arc-melting technique. The compound crystallizes in a tetragonal CeCr$_2$Si$_2$C-type structure with cell parameters of $a$ = 4.2296 \r{A}and…