Related papers: Superconducting MAX phases Nb2AC (A = S, Sn): An a…
We report the photoresponse of niobium diselenide (NbSe$_2$), a transition metal dichalcogenide (TMD) which exhibits superconducting properties down to a single layer. Devices are built by using micro-mechanically cleaved 2 to 10 layers and…
The recently developed MAB phases, an extension of the MAX phase, have sparked interest in research among scientists because of their better thermo-mechanical properties. In this paper, we have explored four new MAB phases M2AB2 (M=Mo, Ta…
In this paper we investigate the electronic and superconducting properties in nickelate compounds of NiO2 through Perturbative Density Functional Theory (P-DFT) and multi-band BCS theory. We consider three different cases of study (i) the…
Metal-insulator transition materials such as NbO2 have generated much excitement in recent years for their potential applications in computing and sensing. NbO2 has generated considerable debate over the nature of the phase transition, and…
A first-principles study of the electronic and superconducting properties of the Ni$_2$VAl Heusler compound is presented. The electron-phonon coupling constant of $\lambda_{ep}$ = 0.68 is obtained, which leads to a superconducting…
The electronic band structures of the new superconducting (with T_c up to 7.7K) ternary silicides M(A_{0.5}Si_{0.5})_2 (M= Ca, Sr, Ba; A= Al, Ga) in the AlB_2-type structure have been investigated using the full-potential LMTO method. The…
In this work, density functional theory (DFT) based calculations were performed to compute the physical properties (structural stability, mechanical behavior, electronic, thermodynamic, and optical properties) of synthesized MAX phases…
Using ab initio method we have studied the structural, elastic, electronic, optical and thermodynamic properties of AlB2 and TaB2. We have used plane wave pseudopotential with generalised gradient approximation as implemented in CASTEP…
Superconductivity is observed with critical temperature $T_{c}$ = 2.0 K in self-flux-grown single crystals of $CaBi_{2}$. This material adopts the $ZrSi_{2}$ structure type with lattice parameters a = 4.696(1) $\AA$, b = 7.081(2) $\AA$ and…
2H-NbSe2 is known to be an archetype layered transitional metal dichalcogenide superconductor with a superconducting transition temperature of 7.3 K.In this article, we investigate the influence of Sn intercalation on superconducting…
We present a comparative study of our valence band photoemission results on Nb2Pd1.2Se5 and Nb2Pd0.95S5 superconductors which is supported by our DFT based electronic structure calculations. We observe that the VB spectra of both the…
We present a systematic investigation of superconductivity in a topological superconductor candidate $T_{\rm d}$-MoTe$_2$ in the few-layer limit. By examining multiple mechanically exfoliated samples with different thicknesses, substrates…
Niobium carbide (NbC) is a high-field Type II superconductor with a critical temperature ($T_C$) of 11.1 K, just above that of pure Nb ($T_C = 9$ K). Downsizing NbC to the nanoparticle scale introduces significant alterations in its…
This study uses the Density Functional Theory to explore the pressure dependent properties of hexagonal BeB2C. The metallic nature of BeB2C was substantiated at ambient pressure, with pressure induced alterations in electronic band…
Superconductor/topological material heterostructures are intensively studied as a platform for topological superconductivity and Majorana physics. However, the high cost of nanofabrication and the difficulty of preparing high-quality…
The elastic, electronic and optical properties of MNNi3 (M= Zn, Sn and Cu) have been calculated using the plane-wave ultrasoft pseudopotential technique which is based on the first-principles density functional theory (DFT) with generalized…
A new two-dimensional material { Mg2B4C2, belonging to the family of the conventional superconductor MgB2, is theoretically predicted to exhibit superconductivity with critical temperature Tc estimated in the 47-48 K range (predicted using…
2H-NbSe2 is the prototype and most frequently studied of the well-known transition metal dichalcogenide (TMDC) superconductors. Widely acknowledged to be a conventional superconductor, its transition temperature to the superconducting state…
The structural, vibrational, thermodynamical and optical properties of technologically important, weakly coupled MAX compound, Sc2AlC are calculated using density functional theory (DFT). The structural properties of Sc2AlC are compared…
We show the effect of Cl and S functionalization on the superconducting properties of layered (bulk) and monolayer niobium carbide (Nb$_2$C) MXene crystals, based on first-principles calculations combined with Eliashberg theory. For the…