Related papers: Competition of ferromagnetism and superconductivit…

We present first-principles density functional theory (DFT) investigations of mechanical, thermodynamic and optical properties of synthesized inverse-perovskites Sc3InX (X = B, C, N). The elastic constants at zero pressure and temperature…

Low temperature (<400 K) thermoelectric properties of semiconducting RuIn3 and metallic IrIn3 are reported. RuIn3 is a narrow band gap semiconductor with a large n-type Seebeck coefficient at room temperature (S(290K)~400 {\mu}V/K), but the…

We successfully dope the magnetically silent double perovskite semiconductor Sr2GaSbO6 to induce ferromagnetism and tune its band gap, with Ga3+ partially substituted by the magnetic trivalent cation Mn3+, in a rigid cation ordering with…

In the present study, we investigate the thermodynamic properties of the Ba$_{x}$K$_{1-x}$BiO$_{3}$ (BKBO) superconductor in the under- ($x=0.5$) and over-doped ($x=0.7$) regime, within the framework of the Migdal-Eliashberg formalism. The…

Since the discovery of high-temperature superconductivity (SC) in quasi-two-dimensional copper oxides, a few layered compounds, which bear similarities to the cuprates, have also been found to host unconventional SC. Our recent observation…

The discovery of high temperature superconductivity in cuprates was possible only through an intimate knowledge of perovskite oxides which have been synthesized and characterized for decades at the IBM in the Z\"urich laboratoty. Especially…

Topological materials which are also superconducting are of great current interest, since they may exhibit a non-trivial topologically-mediated superconducting phase. Although there have been many reports of pressure-tuned or…

Superconductivity in Mo3Sb7 is analyzed using the combined electronic structure and phonon calculations, and the electron--phonon coupling constant \lambda_{ph}=0.54 is determined from first principles. This value explains the experimental…

SrPt3P has recently been reported to exhibit superconductivity with Tc = 8.4 K. To explore its superconducting mechanism, we have performed electron and phonon band calculations based on the density functional theory, and found that the…

We use density functional theory methods to study the electronic structures of a series of $s-p$ cubic perovskites $ABX_{3}$: the experimentally available SrBiO$_{3}$, BaBiO$_{3}$, BaSbO$_3$, CsTlF$_{3}$, and CsTlCl$_{3}$, as well as the…

The lightweight high entropy alloy represents an innovative class of multicomponent systems that combine low density with the exceptional mechanical properties of high-entropy alloys. We present a detailed synthesis and investigation of a…

We report the discovery of superconductivity at 2.3 K in Zr5Sb3, the first superconducting member in the large compound family of the Mn5Si3-structure type. Transport, magnetic, and calorimetric measurements and band structure calculations…

A new superconductor (Na0.25K0.45)Ba3Bi4O12, having an A-site-ordered double perovskite structure, with a maximum Tc ~ 27 K has very recently been discovered through hydrothermal synthesis at 593 K. The structural, elastic, electronic, and…

SrTiO$_{3}$ undergoes a cubic-to-tetragonal phase transition at 105K. This antiferrodistortive transition is believed to be in competition with incipient ferroelectricity. Substituting strontium by isovalent calcium induces a ferroelectric…

Fullerene solids doped with alkali metals (A$_3$C$_{60}$, A = K, Rb, Cs) exhibit a superconducting transition temperature ($T_c$) as high as 40 K, and their unconventional superconducting properties have been a subject of debate. With…

The discovery of superconductivity in Magnesium Diborate (MgB$_2$) has stimulated great interest in the search of new superconductors with similar lattice structures. Unlike cuprate or iron-based superconductors, MgB$_2$ is indisputably a…

By replacing the alkali element in the newly discovered K2Mo3As3 superconductor, we successfully synthesized ternary molybdenum pnictides Rb2Mo3As3 and Cs2Mo3As3 through solid state reaction method. Powder X-ray diffraction analysis reveals…

Superconductivity in materials whose crystal structure lacks inversion symmetry is a prime candidate for unconventional superconductivity. A new noncentrosymmetric compound Zr$_{3}$Ir crystallizes in a tetragonal $ \alpha $-V$_{3} $S…

It is widely perceived that the correlation effect may play an important role in several unconventional superconducting families, such as cuprate, iron-based and heavy-fermion superconductors. The application of high pressure can tune the…

Inspired by recent predictions of superconductivity in B-C framework clathrates, we employ density functional theory to explore potential superconductors among hexagonal hydride-substituted compounds with compositions XB$_8$C, XB$_7$C$_2$,…