Related papers: Electronic-Structure Correlations Governing Superc…
Fermi level engineering and mechanical properties evolution in high entropy carbides are investigated by theoretical and experimental means. Massive elemental diversity in high entropy ceramics broadens the compositional space but imposes…
Bottom-up design of high-entropy ceramics is a promising approach for realizing materials with unique combination of high hardness and fracture-resistance at elevated temperature. This work offers a simple yet fundamental design criterion -…
The elastic, thermodynamic, electronic, and optical properties of recently discovered and potentially technologically important transition metal boride NbRuB, have been investigated using the density functional formalism. Both generalized…
Unconventional superconductivity is a desirable state of matter due to its potential for high transition temperatures $T_{\mathrm{c}}$ and associated favorable superconducting properties. However, the sign-changing nature of the order…
The electronic properties relevant to the superconductivity are reported for bulk Ta-Hf and Ta-Zr body centered cubic alloys, in large part to determine whether their properties are suitable for potential use in superconducting qbits. The…
Superconductivity in strongly correlated systems is a remarkable phenomenon that attracts a huge interest. The study of this problem is relevant for materials as the high Tc oxides, pnictides and heavy fermions. In this work we study a…
Traditionally, increasing compositional complexity and chemical diversity of high entropy alloy ceramics whilst maintaining a stable single-phase solid solution has been a primary design strategy for the development of new ceramics.…
We have studied the variation of Tc with charge density and lattice parameters in Mg1-xAlxB2 superconducting samples at low Al doping x<8%. We show that high Tc occurs where the chemical potential is tuned at a "superconducting shape…
A new approach based on macro-orbital representation of a conduction electron in a solid has been used to discover some untouched aspects of the phonon induced attraction between two electrons and to lay the basic foundations of a general…
Besides the chemical constituents, it is the lattice geometry that controls the most important material properties. In many interesting compounds, the arrangement of elements leads to pronounced anisotropies, which reflect into a varying…
We investigate the thermodynamics and phase stability of the AlTiVCr lightweight high-entropy alloy using a combination of ab initio electronic structure calculations, a concentration wave analysis, and atomistic Monte Carlo simulations. In…
Rock-salt type niobium nitride ($\delta$-NbN) is a well-known superconductor having superconducting transition temperature (Tc) $\approx$ 18\,K and a large superconducting gap $\approx$3\,meV. The Tc of $\delta$-NbN thin film exhibits a…
Recently, unconventional superconductivity having a zero-bias conductance peak is reported in doped topological Dirac semimetal (DSM) with lattice distortion. Motivated by the experiments, we theoretically study the possible…
Structural, elastic and electronic band structure properties of A-15 type Nb-based intermetallic compounds Nb3B (B = Os, Pt, Au) have been revisited using first principles calculations based on the density functional theory (DFT). All these…
The discovery of superconductivity with a critical temperature of about 80~K in La$_{3}$Ni$_{2}$O$_{7}$ single crystals under pressure has received enormous attention. La$_{3}$Ni$_{2}$O$_{7}$ is not superconducting under ambient pressure…
Electronic nematicity has been commonly observed in juxtaposition with unconventional superconductivity. Understanding the nature of the nematic state, as well as its consequence on the electronic band structure and superconductivity, has…
We present results of comprehensive study of electronic properties of (TiZrNbCu)(1-x)Ni(x) metallic glasses performed in broad composition range x encompassing both, high entropy (HE) range, and conventional Ni-base alloy concentration…
We study, within the fluctuation exchange approximation, the spin-fluctuation-mediated superconductivity in Hubbard-type models possessing electron and hole bands, and compare them with a model on a square lattice with a large Fermi…
The quest to govern the driving forces behind superconductivity and gain control over the superconducting transition temperature $T_{c}$ is as old as the phenomenon itself. Microscopically, this requires a proper understanding of the…
A distinctive feature of layered conductors is the presence of low-energy electronic collective modes of the conduction electrons. This affects the dynamic screening properties of the Coulomb interaction in a layered material. We study the…