Related papers: Superconductivity in functionalized niobium-carbid…
The recently discovered surface-group-dependent superconductivity in Nb$_2$C-MXene fabricated by the molten salts method is attracting wide attention. However, regarding the superconductivity of Nb$_2$C-MXene with functional F groups…
We study new superconductor candidates in functionalized MXenes Zr$_2$NS$_2$, Zr$_2$NCl$_2$, and Sc$_2$NCl$_2$ with $\textit{ab initio}$ calculations based on density functional theory for superconductors (SCDFT). The superconducting…
We present a comprehensive first-principles investigation of the structural, electronic, vibrational, and superconducting properties of halogen-functionalized Mo2YX2 (Y = C, N; X = F, Cl, Br, I) MXene monolayers. Density functional theory…
Two-dimensional (2D) superconductors have attracted great attention in recent years due to the possibility of new phenomena in lower dimensions. With many bulk transition metal carbides being well-known conventional superconductors, here we…
Currently, superconductivity in two-dimensional (2D) materials is a hot topic of research owing to their potential technological applications. Here, we report observation of superconductivity in a 2D Nb2C MXene with transition temperature…
In the present work, the three stable MXenes M n+1 C n O 2 (M=Nb,Ta) are explored based onfirst-principles calculations. These materials are important derivatives of 2D materials and exhib-it distinctive properties, holding vast potential…
Recently it was discovered that, under elevated pressures, MoB$_2$ exhibits superconductivity at a critical temperature, $T_c$, as high as 32 K. The superconductivity appears to develop following a pressure-induced structural transition…
Recently, two-dimensional Nb$_2$C has garnered increasing attention due to its functional-group-dependent superconductivity, both experimentally and theoretically. In contrast to the halogen and chalcogen additives that have been the main…
We perform a thorough first-principles study on superconductivity in yttrium carbide halide Y$_2$$X_2$C$_2$ ($X$=Cl, Br, I) whose maximum transition temperature ($T_{\rm c}$) amounts to $\sim$10 K. A detailed analysis on the optimized…
Two-dimensional (2D) superconductors attracted growing interest in condensed-matter physics research. In this work, we explore the superconducting properties of surface-functionalized, out-of-plane ordered double transition-metal MXenes…
The exploration of superconductivity in low-dimensional materials has attracted intensive attention for decades. Based on first-principles electronic structure calculations, we have systematically investigated the electronic and…
The exploration of the superconductivity in two-dimensional materials has garnered significant attention due to their promising low-power applications and fundamental scientific interest. Here, we report some novel stable non-van der Waals…
Both Nb$_3$Pd$_x$Se$_7$ and Ta$_4$Pd$_3$Te$_{16}$ crystallize in a monoclinic point group while exhibiting superconducting transition temperatures as high as $T_c\sim 3.5$ and $\sim 4.7 $ K, respectively. Disorder was claimed to lead to the…
Despite growing interest in them, highly crystalline two-dimensional superconductors derived from exfoliated layered materials are few. Employing the anisotropic Migdal-Eliashberg formalism based on {\it ab initio} calculations, we find…
Two-dimensional materials are of interest for their exotic properties, for example, superconductivity, and highly tunability. Focusing on phonon-mediating superconductivity, one would propose to promote critical temperature by substituting…
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…
The recent discovery of superconductivity at ~39 K in MgB2, by Nagamatsu et al. establishes this simple binary compound as having the highest bulk superconducting transition temperature, Tc, of any non-copper-oxide material. Much of the…
Although the metalization of semiconductor bulk LiBC has been experimentally achieved, various flaws, including the strong lattice distortion, the uncontrollability of phase transition under pressure, usually appear. In this work, based on…
Quantum materials with non-trivial band topology and bulk superconductivity are considered superior materials to realize topological superconductivity. In this regard, we report detailed Density Functional Theory (DFT) calculations and Z2…
Solid MgB$_2$ has rather interesting and technologically important properties, such as a very high superconducting transition temperature. Focusing on this compound, we report the first non-trivial application of a novel…