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Building on recent NMR experiments [Phys. Rev. Lett. 118, 067203], we theoretically investigate the high magnetic field regime of the disordered quasi-one-dimensional $S=1$ antiferromagnetic material…
Measurements of magnetic susceptibility, specific heat, and electrical resistivity at applied pressures up to 55 kbar have been carried out on single crystals of the heavy-fermion antiferromagnet U_3Ni_5Al_19, which crystallizes in the…
High- and medium-entropy nitride coatings from the Cr-Hf-Mo-Ta-W-N system were studied using ab initio calculations and experiments to clarify the role of entropy and individual elements in phase stability, microstructure, and…
212 MAX phase borides are new additions to the MAX phase family with enhanced thermo-mechanical properties. In this article, first-principles calculations have been carried out to explore the mechanical properties, Vickers hardness, elastic…
Measurements of electrical resistivity were performed between 3 and 300 K at various pressures up to 2.8 GPa on the BiS2-based superconductors LnO0.5F0.5BiS2 (Ln = Pr, Nd). At lower pressures, PrO0.5F0.5BiS2 and NdO0.5F0.5BiS2 exhibit…
We report the experimental evidence in support of room temperature ferromagnetism in Ni doped 3C-SiC. Curie temperature is found to be > 350 K. Temperature dependent Electron paramagnetic resonance (EPR) study reveals that the valence state…
The silver-fluorine phase diagram has been scrutinized as a function of external pressure using theoretical methods. Our results indicate that two novel stoichiometries containing Ag+ and Ag2+ cations (Ag3F4 and Ag2F3) are thermodynamically…
We report high pressure powder synchrotron x-ray diffraction studies on MFe2As2 (M=Ba, Ca) over a range of temperatures and pressures up to about 56 GPa using a membrane diamond anvil cell. A phase transition to a collapsed tetragonal phase…
The structural properties under hydrostatic pressure up to 3 GPa of the layered rare earth carbide halide superconductor Y2C2I2 are studied by neutron powder diffraction at room temperature. The compressibilities are anisotropic, such that…
The orthorhombic phase of Si-doped Fe carbide is synthesized at high pressures and temperatures using laser-heated diamond anvil cell (LHDAC), followed by its characterization using X-ray diffraction (XRD) measurements, Transmission…
Isothermal-isobaric molecular dynamics simulations have been performed to examine an ample set of properties of the model water-N,N-dimethylformamide (DMF) mixture as a function of composition. The SPC-E and TIP4P-Ew water models together…
Evolutionary algorithms (EA) coupled with Density Functional Theory (DFT) calculations have been used to predict the most stable hydrides of phosphorous (PHn, n = 1-6) at 100, 150 and 200 GPa. At these pressures phosphine is unstable with…
The 12%-S doped FeSe system has a high Tc of 30 K at a pressure of 3.0 GPa. We have successfully investigated its microscopic properties for the first time via $^{77}$Se-NMR measurements under pressure. The antiferromagnetic (AFM)…
1H nuclear magnetic resonance (NMR) measurements in [YPc2]0, an organic compound formed by radicals stacking along chains, are presented. The temperature dependence of the macroscopic susceptibility, of the NMR shift and of the spin-lattice…
Isomerism in complex organic molecules provides key insights into the formation mechanisms and physical conditions of the interstellar medium (ISM). Among the C$_2$H$_5$NO isomers, only acetamide and trans-N-methylformamide (trans-NMF) have…
The quest for room-temperature nanoscale magnets remains a central challenge, driven by their promising applications in quantum technologies. Layered $4d$ and $5d$ transition metal oxides with high magnetic ordering temperatures offer…
The temperature dependence of the phonon spectrum in the superconducting transition metal dichalcogenide 2H-NbS$_2$ is measured by diffuse and inelastic x-ray scattering. A deep, wide and strongly temperature dependent softening, of the two…
A dilute homogeneous 3D Fermi gas in the ground state is considered for the case of a repulsive pairwise interaction. The low-density (dilution) expansions for the kinetic and interaction energies of the system in question are calculated up…
The isothermal compression of a dilute nucleonic gas invoking cluster degrees of freedom is studied in an equilibrium statistical model; this clusterized system is found to be more stable than the pure nucleonic system. The equation of…
On account of the rapid development of noble gas chemistry in the past half-century both xenon and krypton compounds can now be isolated in macroscopic quantities. The same though does not hold true for the next lighter group 18 element,…