Related papers: Novel high pressure structures and superconductivi…
We perform a systematic \textit{ab initio} density functional study of the superconductivity, electronic and phononic band structures, electron-phonon coupling and elastic constants of all four possible structures of niobium nitride…
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…
We report on the discovery, structural analysis, and the physical properties of Nb$_4$SiSb$_2$ -- a hitherto unknown compound crystallizing in the V$_4$SiSb$_2$-type structure with the tetragonal space group $I4/mcm$ and unit cell…
A recent work has demonstrated that MoB$_2$, transforming to the same structure as MgB$_2$ ($P6/mmm$), superconducts at temperatures above 30 K near 100 GPa [C. Pei $et$ $al$. Natl. Sci. Rev., nwad034 (2023)], and Nb-substitution in MoB$_2$…
In this work we explore the phase diagram of the binary Nb-S system from ambient pressures up to 250 GPa using $ab$ $initio$ evolutionary crystal structure prediction. We find several new stable compositions and phases, especially in the…
We report synthesis, structural details and complete superconducting characterization of very recently discovered Nb2PdS5 new superconductor. The synthesized compound is crystallized in mono-clinic structure. Bulk superconductivity is seen…
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…
Niobium disulfide (NbS2), a two-dimensional transition metal dichalcogenide with semi metallic conductivity and high surface activity, offers promising properties for electronic and sensing applications. In this study, we report a…
Niobium polyhydride was synthesized at high pressure and high temperature conditions by using diamond anvil cell combined with in situ high pressure laser heating techniques. High pressure electric transport experiments demonstrate that…
Topological superconductivity with Majorana bound states, which are critical to implement nonabelian quantum computation, may be realized in three-dimensional semimetals with nontrivial topological feature, when superconducting transition…
Transition metal dichalcogenides exhibit many unexpected properties including two-dimensional (2D) superconductivity as the interlayer coupling being weakened upon either layer-number reduction or chemical intercalation. Here we report the…
This is the first study of the effect of pressure on transition metal dichalcogenides intercalated by atoms that order magnetically. Co$_{1/3}$NbS$_2$ is a layered system where the intercalated Co atoms order antiferromagnetically at T$_N$…
Orthorhombic (space group: Pnma) Nb2P5 is a high-pressure phase that is quenchable to ambient pressure, which could viewed as the zigzag infinite P chain-inserted NbP2. We report herein the high-pressure crystal growth of Nb2P5 and the…
The high pressure structural and electronic evolution of bulk MoS$_2$, an important transition metal layered dichalchogenide, is currently under active investigation. Recent theoretical and experimental work predicted and verified a 2H$_c…
An ab-initio investigation of structural parameters, elastic, electronic, thermodynamic and optical properties of MAX phases Nb2AC (A = S, Sn) has been carried out by the plane wave psedudopotential method based on density functional theory…
Motivated by the recent report of superconductivity above 200 K in ultra-dense hydrogen sulfide, we search for high-\tc\ conventional superconductivity in the phase diagram of the binary Li-S system, using {\em ab-initio} methods for…
NbSe$_{2}$ and NbS$_{2}$ are isostructural two-dimensional materials that exhibit contrasting superconducting properties when reduced to the single monolayer limit. Monolayer NbSe$_{2}$ is an Ising superconductor, while there have been no…
Since the discovery of MgB2 with Tc=39K, various metal diborides of MB2 have been intensively studied to find possible conventional high-temperature superconductors. A possible 2D structure of the metal diboride has been shown to be in the…
The high-pressure behavior of two Mn-based honeycomb-structured magnetoelectric materials, Mn4Nb2O9 (MNO) and Mn4Ta2O9 (MTO), was investigated using Raman spectroscopy, synchrotron x-ray diffraction, and density functional theory (DFT)…
The exploration of superconductivity dominated by structural units is of great interest in condense matter physics. MgB2, consisting of graphene-like B, becomes a typical representative of traditional superconductors. Phosphorus…