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Register a new userHigh-pressure synthesis of ultraincompressible hard rhenium nitride pernitride Re$_{2}$(N$_{2}$)N$_{2}$ stable at ambient conditions
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Here we report the synthesis of metallic, ultraincompressible (bulk modulus $K_{0}$ = 428(10) GPa) and very hard (nanoindentation hardness 36.7(8) GPa) rhenium (V) nitride pernitride Re$_{2}$(N$_{2}$)N$_{2}$. While the empirical chemical formula of the compound, ReN$_{2}$, is the same as for other known transition metals pernitrides, e.g. IrN$_{2}$, PtN$_{2}$, PdN$_{2}$ and OsN$_{2}$, its crystal chemistry is unique. The known pernitrides of transition metals consist of a metal in the oxidation state +IV and pernitride anions N$_{2}^{4-}$. ReN$_{2}$ contains both pernitride N$_{2}^{4-}$ and discrete N$^{3-}$ anions, which explains its exceptional properties. Moreover, in the original experimental synthesis of Re$_{2}$(N$_{2}$)N$_{2}$ performed in a laser-heated diamond anvil cell via a direct reaction between rhenium and nitrogen at pressures from 40 to 90 GPa we observed that the material was recoverable at ambient conditions. Consequently, we developed a route to scale up its synthesis through a reaction between rhenium and ammonium azide, NH$_{4}$N$_{3}$, in a large-volume press at 33 GPa. Our work resulted not only in a discovery of a novel material with unusual crystal chemistry and a set of properties attractive for potential applications, but also demonstrated a feasibility of surmounting conceptions common in material sciences.
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Using dc and ac magnetometry, the pressure dependence of the magnetization of the three-dimensional antiferromagnetic coordination polymer Mn(N(CN)$_{2}$)$_{2}$ was studied up to 12 kbar and down to 8K. The magnetic transition temperature, $T_c$, increases dramatically with applied pressure $(P)$, where a change from $T_c(P=text{ambient}) = 16.0$ K to $T_c(P=12.1$~kbar$) = 23.5$ K was observed. In addition, a marked difference in the magnetic behavior is observed above and below 7.1 kbar. Specifically, for $P<7.1$ kbar, the differences between the field-cooled and zero-field-cooled (fc-zfc) magnetizations, the coercive field, and the remanent magnetization decrease with increasing pressure. However, for $P>7.1$ kbar, the behavior is inverted. Additionally, for $P>8.6$ kbar, minor hysteresis loops are observed. All of these effects are evidence of the increase of the superexchange interaction and the appearance of an enhanced exchange anisotropy with applied pressure.
The make-up of the outer planets, and many of their moons, are dominated by matter from the H-C-N-O chemical space, commonly assumed to originate from mixtures of hydrogen and the planetary ices H$_2$O, CH$_4$, and NH$_3$. In their interiors, these ices experience extreme pressure conditions, around 5 Mbar at the Neptune mantle-core boundary, and it is expected that they undergo phase transitions, decompose, and form entirely new compounds. In turn, this determines planets interior structure, thermal history, magnetic field generation, etc. Despite its importance, the H-C-N-O space has not been surveyed systematically. Asked simply: at high-pressure conditions, what compounds emerge within this space, and what governs their stability? Here, we report on results from an unbiased crystal structure search amongst H-C-N-O compounds at 5 Mbar to answer this question.
In a recent work, new two-dimensional materials, the monolayer MoSi$_{2}$N$_{4}$ and WSi$_{2}$N$_{4}$, have been successfully synthesized in experiment, and several other monolayer materials with the similar structure, such as MoSi$_{2}$As$_{4}$, have been predicted [{color{blue}Science 369, 670-674 (2020)}]. Here, based on first-principles calculations and theoretical analysis, we investigate the electronic and optical properties of monolayer MoSi$_{2}$N$_{4}$, WSi$_{2}$N$_{4}$ and MoSi$_{2}$As$_{4}$. We show that these materials are semiconductors, with a pair of Dirac-type valleys located at the corners of the hexagonal Brillouin zone. Due to the broken inversion symmetry and the effect of spin-orbit coupling, the valley fermions manifest spin-valley coupling, valley-contrasting Berry curvature, and valley-selective optical circular dichroism. We also construct the low-energy effective model for the valleys, calculate the spin Hall conductivity and the permittivity, and investigate the strain effect on the band structure. Our result reveals interesting valley physics in monolayer MoSi$_{2}$N$_{4}$, WSi$_{2}$N$_{4}$ and MoSi$_{2}$As$_{4}$, suggesting their great potential for valleytronics and spintronics applications.
Both even- and odd-numbered neutral carbon clusters Cn (n = 2-10) are systematically studied using the energy minimization method and the modified Brenner potential for the carbon-carbon interactions. Many stable configurations were found and several new isomers are predicted. For the lowest energy stable configurations we obtained their binding energies and bond lengths. We found that for n < 6 the linear isomer is the most stable one while for n > 5 the monocyclic isomer becomes the most stable. The latter was found to be regular for all studied clusters. The dependence of the binding energy for linear and cyclic clusters versus the cluster size n (n = 2-10) is found to be in good agreement with several previous calculations, in particular with ab initio calculations as well as with experimental data for n = 2-5.
We consider a class of N=2 conformal SU(N) SYM theories in four dimensions with matter in the fundamental, two-index symmetric and anti-symmetric representations, and study the corresponding matrix model provided by localization on a sphere S4, which also encodes information on flat-space observables involving chiral operators and circular BPS Wilson loops. We review and improve known techniques for studying the matrix model in the large-N limit, deriving explicit expressions in perturbation theory for these observables. We exploit both recursive methods in the so-called full Lie algebra approach and the more standard Cartan sub-algebra approach based on the eigenvalue distribution. The sub-class of conformal theories for which the number of fundamental hypermultiplets does not scale with N differs in the planar limit from the N=4 SYM theory only in observables involving chiral operators of odd dimension. In this case we are able to derive compact expressions which allow to push the small t Hooft coupling expansion to very high orders. We argue that the perturbative series have a finite radius of convergence and extrapolate them numerically to intermediate couplings. This is preliminary to an analytic investigation of the strong coupling behavior, which would be very interesting given that for such theories holographic duals have been proposed.
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