Browse
Submit Data
Databases
API
Help

Dataset Information

15 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Nitrogen oxides under pressure: stability, ionization, polymerization, and superconductivity.

ABSTRACT: Nitrogen oxides are textbook class of molecular compounds, with extensive industrial applications. Nitrogen and oxygen are also among the most abundant elements in the universe. We explore the N-O system at 0 K and up to 500 GPa though ab initio evolutionary simulations. Results show that two phase transformations of stable molecular NO2 occur at 7 and 64 GPa, and followed by decomposition of NO2 at 91 GPa. All of the NO(+)NO3(-) structures are found to be metastable at T = 0 K, so experimentally reported ionic NO(+)NO3(-) is either metastable or stabilized by temperature. N2O5 becomes stable at 9 GPa, and transforms from P-1 to C2/c structure at 51 GPa. NO becomes thermodynamically stable at 198 GPa. This polymeric phase is superconducting (Tc = 2.0 K) and contains a -N-N- backbone.

SUBMITTER: Li D

PROVIDER: S-EPMC4648296 | biostudies-literature | 2015 Nov

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

Nitrogen oxides under pressure: stability, ionization, polymerization, and superconductivity.

Li Dongxu D Oganov Artem R AR Dong Xiao X Zhou Xiang-Feng XF Zhu Qiang Q Qian Guangrui G Dong Huafeng H

Scientific reports 20151117

Nitrogen oxides are textbook class of molecular compounds, with extensive industrial applications. Nitrogen and oxygen are also among the most abundant elements in the universe. We explore the N-O system at 0 K and up to 500 GPa though ab initio evolutionary simulations. Results show that two phase transformations of stable molecular NO2 occur at 7 and 64 GPa, and followed by decomposition of NO2 at 91 GPa. All of the NO(+)NO3(-) structures are found to be metastable at T = 0 K, so experimentall ...[more]

PMID: 26575799

Similar Datasets

Krypton oxides under pressure.

Project description:Under high pressure, krypton, one of the most inert elements is predicted to become sufficiently reactive to form a new class of krypton compounds; krypton oxides. Using modern ab-initio evolutionary algorithms in combination with Density Functional Theory, we predict the existence of several thermodynamically stable Kr/O species at elevated pressures. In particular, our calculations indicate that at approx. 300?GPa the monoxide, KrO, should form spontaneously and remain thermo- and dynamically stable with respect to constituent elements and higher oxides. The monoxide is predicted to form non-molecular crystals with short Kr-O contacts, typical for genuine chemical bonds.

| S-EPMC4735652 | biostudies-literature

Enhancement and reentrance of spin triplet superconductivity in UTe2 under pressure.

Project description:Spin triplet superconductivity in the Kondo lattice UTe2 appears to be associated with spin fluctuations originating from incipient ferromagnetic order. Here we show clear evidence of twofold enhancement of superconductivity under pressure, which discontinuously transitions to magnetic order, likely of ferromagnetic nature, at higher pressures. The application of a magnetic field tunes the system back across a first-order phase boundary. Straddling this phase boundary, we find another example of reentrant superconductivity in UTe2. As the superconductivity and magnetism exist on two opposite sides of the first-order phase boundary, our results indicate other microscopic mechanisms may be playing a role in stabilizing spin triplet superconductivity in addition to spin fluctuations associated with magnetism.

| S-EPMC8201659 | biostudies-literature

Superconductivity of novel tin hydrides (Sn(n)H(m)) under pressure.

Project description:With the motivation of discovering high-temperature superconductors, evolutionary algorithm USPEX is employed to search for all stable compounds in the Sn-H system. In addition to the traditional SnH4, new hydrides SnH8, SnH12 and SnH14 are found to be thermodynamically stable at high pressure. Dynamical stability and superconductivity of tin hydrides are systematically investigated. I4m2-SnH8, C2/m-SnH12 and C2/m-SnH14 exhibit higher superconducting transition temperatures of 81, 93 and 97 K compared to the traditional compound SnH4 with Tc of 52 K at 200 GPa. An interesting bent H3-group in I4m2-SnH8 and novel linear H in C2/m-SnH12 are observed. All the new tin hydrides remain metallic over their predicted range of stability. The intermediate-frequency wagging and bending vibrations have more contribution to electron-phonon coupling parameter than high-frequency stretching vibrations of H2 and H3.

| S-EPMC4786816 | biostudies-other

Superconductivity up to 243 K in the yttrium-hydrogen system under high pressure.

Project description:The discovery of superconducting H3S with a critical temperature Tc∼200 K opened a door to room temperature superconductivity and stimulated further extensive studies of hydrogen-rich compounds stabilized by high pressure. Here, we report a comprehensive study of the yttrium-hydrogen system with the highest predicted Tcs among binary compounds and discuss the contradictions between different theoretical calculations and experimental data. We synthesized yttrium hydrides with the compositions of YH3, YH4, YH6 and YH9 in a diamond anvil cell and studied their crystal structures, electrical and magnetic transport properties, and isotopic effects. We found superconductivity in the Im-3m YH6 and P63/mmc YH9 phases with maximal Tcs of ∼220 K at 183 GPa and ∼243 K at 201 GPa, respectively. Fm-3m YH10 with the highest predicted Tc > 300 K was not observed in our experiments, and instead, YH9 was found to be the hydrogen-richest yttrium hydride in the studied pressure and temperature range up to record 410 GPa and 2250 K.

| S-EPMC8379216 | biostudies-literature

Suppression of superconductivity and structural phase transitions under pressure in tetragonal FeS.

Project description:Pressure is a powerful tool to study iron-based superconductors. Here, we report systematic high-pressure transport and structural characterizations of the newly discovered superconductor FeS. It is found that superconductor FeS (tetragonal) partly transforms to a hexagonal structure at 0.4?GPa, and then completely transforms to an orthorhombic phase at 7.4?GPa and finally to a monoclinic phase above 9.0?GPa. The superconducting transition temperature of tetragonal FeS was gradually depressed by pressure, different from the case in tetragonal FeSe. With pressure increasing, the S-Fe-S angles only slightly change but the anion height deviates farther from 1.38?Å. This change of anion height, together with the structural instability under pressure, should be closely related to the suppression of superconductivity. We also observed an anomalous metal-semiconductor transition at 6.0?GPa and an unusual increased resistance with further compression above 9.6?GPa. The former can be ascribed to the tetragonal-orthorhombic structural phase transition, and the latter to the electronic structure changes of the high-pressure monoclinic phase. Finally, a phase diagram of tetragonal FeS as functions of pressure and temperature was mapped out for the first time, which will shed new light on understanding of the structure and physics of the superconducting FeS.

| S-EPMC4976363 | biostudies-other

Reply: Faulty evidence for superconductivity in ac magnetic susceptibility of sulfur hydride under pressure.

Project description: Not available

| S-EPMC9249580 | biostudies-literature

Pressure-induced superconductivity in CaC2.

Project description:Carbon can exist as isolated dumbbell, 1D chain, 2D plane, and 3D network in carbon solids or carbon-based compounds, which attributes to its rich chemical binding way, including sp-, sp(2)-, and sp(3)-hybridized bonds. sp(2)-hybridizing carbon always captures special attention due to its unique physical and chemical property. Here, using an evolutionary algorithm in conjunction with ab initio method, we found that, under compression, dumbbell carbon in CaC2 can be polymerized first into 1D chain and then into ribbon and further into 2D graphite sheet at higher pressure. The C2/m structure transforms into an orthorhombic Cmcm phase at 0.5 GPa, followed by another orthorhombic Immm phase, which is stabilized in a wide pressure range of 15.2-105.8 GPa and then forced into MgB2-type phase with wide range stability up to at least 1 TPa. Strong electron-phonon coupling ? in compressed CaC2 is found, in particular for Immm phase, which has the highest ? value (0.562-0.564) among them, leading to its high superconducting critical temperature Tc (7.9?9.8 K), which is comparable with the 11.5 K value of CaC6. Our results show that calcium not only can stabilize carbon sp(2) hybridization at a larger range of pressure but also can contribute in superconducting behavior, which would further ignite experimental and theoretical interest in alkaline-earth metal carbides to uncover their peculiar physical properties under extreme conditions.

| S-EPMC3677455 | biostudies-literature

Pressure induced superconductivity in MnSe.

Project description: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 the possibility of superconductivity in MnSe. We demonstrated in this work that high pressure can effectively suppress the complex magnetic characters of MnSe, and induce superconductivity with Tc ~ 5 K at pressure ~12 GPa confirmed by both magnetic and resistive measurements. The highest Tc is ~ 9 K (magnetic result) at ~35 GPa. Our observations suggest the observed superconductivity may closely relate to the pressure-induced structural change. However, the interface between the metallic and insulating boundaries may also play an important role to the pressure induced superconductivity in MnSe.

| S-EPMC8440596 | biostudies-literature

Enhancement of superconductivity under pressure and the magnetic phase diagram of tantalum disulfide single crystals.

Project description:In low-dimensional electron systems, charge density waves (CDW) and superconductivity are two of the most fundamental collective quantum phenomena. For all known quasi-two-dimensional superconductors, the origin and exact boundary of the electronic orderings and superconductivity are still attractive problems. Through transport and thermodynamic measurements, we report on the field-temperature phase diagram in 2H-TaS2 single crystals. We show that the superconducting transition temperature (Tc) increases by one order of magnitude from temperatures at 0.98?K up to 9.15?K at 8.7?GPa when the Tc becomes very sharp. Additionally, the effects of 8.7?GPa illustrate a suppression of the CDW ground state, with critically small Fermi surfaces. Below the Tc the lattice of magnetic flux lines melts from a solid-like state to a broad vortex liquid phase region. Our measurements indicate an unconventional s-wave-like picture with two energy gaps evidencing its multi-band nature.

| S-EPMC4989151 | biostudies-literature

Reemergence of high-Tc superconductivity in the (Li1-xFe x )OHFe1-ySe under high pressure.

Project description:In order to elucidate pressure-induced second superconducting phase (SC-II) in A x Fe2-ySe2 (A?=?K, Rb, Cs, and Tl) having an intrinsic phase separation, we perform a detailed high-pressure magnetotransport study on the isoelectronic, phase-pure (Li1-xFe x )OHFe1-ySe single crystals. Here we show that its ambient-pressure superconducting phase (SC-I) with a critical temperature Tc???40?K is suppressed gradually to below 2?K and an SC-II phase emerges above Pc???5?GPa with Tc increasing progressively to above 50?K up to 12.5?GPa. Our high-precision resistivity data uncover a sharp transition of the normal state from Fermi liquid for SC-I to non-Fermi liquid for SC-II phase. In addition, the reemergence of high-Tc SC-II is found to accompany with a concurrent enhancement of electron carrier density. Without structural transition below 10?GPa, the observed SC-II with enhanced carrier density should be ascribed to an electronic origin presumably associated with pressure-induced Fermi surface reconstruction.

| S-EPMC5785538 | biostudies-literature

OmicsDI is part of the ELIXIR infrastructure

OmicsDI is an Elixir interoperability service. Learn more ›

Tweets

OmicsDI Databases

PRIDE
PeptideAtlas
MassIVE
JPOST Repository
Physiome Model Repository

EGA
EVA
ENA
LINCS
PAXDB
Cell Collective

MetaboLights
Metabolomics Workbench
MetabolomeExpress
GNPS
BioModels
FAIRDOMHub

ArrayExpress
dbGaP
ExpressionAtlas
GEO
NODE

Information

Databases
Help
API
Contact us
Code on GitHub
Terms of use
Submit Data