Related papers: One-Dimensional Metallic Polymeric Nitrogen
High pressure synthesis of rhenium nitride pernitride ReN$_2$ with crystal structure unusual for transition metal dinitrides and high values of hardness and bulk modulus attracted significant attention to this system. We investigate the…
Understanding high-pressure transitions in prototypical linear diatomic molecules, such as hydrogen, nitrogen, and oxygen, is an important objective in high-pressure physics. Recent ultrahigh-pressure study on hydrogen revealed that there…
Electrides as a unique class of emerging materials exhibit fascinating properties and hold important significance for understanding the matter under extreme conditions, which is characterized by valence electrons localized into the…
Recently near-ambient superconductivity was claimed in N-doped lutetium hydride (ref. 1). This induces a worldwide fanaticism about the dream of room temperature superconductivity under low pressures. By using a high pressure and high…
Since the discovery of superconductivity in mercury at 4 K in 1911, searching for materials with superconductivity at higher temperatures towards practical conditions has been a primary enduring goal. The recent report of room-temperature…
We report the discovery of superconductivity in Nb$_3$Pd$_{x}$Se$_7$ with a $x$-dependent superconducting transition-temperature as high as $T_c \simeq 2.1 $ K for $x \simeq0.7$ (middle point of the resistive transition). Needle-like single…
The theoretical exploration of the phase diagrams of binary hydrides under pressure using \emph{ab initio} crystal structure prediction techniques coupled with first-principles calculations has led to the \emph{in silico} discovery of…
The rich phenomena in the FeSe and related compounds have attracted great interests as it provides fertile material to gain further insight into the mechanism of high temperature superconductivity. A natural follow-up work was to look into…
Due to its low atomic mass hydrogen is the most promising element to search for high-temperature phononic superconductors. However, metallic phases of hydrogen are only expected at extreme pressures (400 GPa or higher). The measurement of a…
The phase diagram and equation of state of dense nitrogen are of interest in understanding the fundamental physics and chemistry under extreme conditions, including planetary processes, and in discovering new materials. We predict several…
The electronic and the optical properties of metallic nitride (MN) monolayers are studied using a DFT formalism. In most of these monolayers, the electron density of the metallic atoms is much higher than that of the nitride atoms, and…
Two-dimensional superconductors attract great interest both for their fundamental physics and for their potential applications, especially in the rapidly growing field of quantum computing. Despite intense theoretical and experimental…
The high critical superconducting temperatures ($T_c$s) of metal hydride phases with clathrate-like hydrogen networks have generated great interest. Herein, we employ the Density Functional Theory-Chemical Pressure (DFT-CP) method to…
The abundant chemical compositions in ternary hydrides bring much more possibility to explore high temperature superconductors under lower pressure. Here we constructed 115 ternary hydrides on the basis of the elements substitution using 16…
We review the theoretical model underpinning the recently reported room-temperature, ambient-pressure superconductivity along line defects on the surface of highly-oriented pyrolytic graphite. The main ingredients for this 1D…
According to the theoretical predictions, insulating molecular hydrogen dissociates and transforms to an atomic metal at pressures P~370-500 GPa. In another scenario, the metallization first occurs in the 250-500 GPa pressure range in…
In recent years, there has been a fervent search for room-temperature superconductivity within the binary hydrides. However, as the number of untested compounds dwindled, it became natural to begin searching within the ternary hydrides.…
Here we report the discovery of pressure-induced superconductivity in quasi-one-dimensional $\mathrm{Ta}_2 \mathrm{PdSe}_6$, through a combination of electrical transport, synchrotron x-ray diffraction, and theoretical calculations. Our…
The interplay between electron correlation and nuclear quantum effects makes our understanding of elemental hydrogen a formidable challenge. Here, we present the phase diagram of hydrogen and deuterium at low temperatures and high-pressure…
Plasmonic response of superconductors at various dimensions are addressed in this paper. All possible parameter space is discussed and considered for theoretical demonstration towards possible future experiments. The most critical…