Related papers: Dehydrogenation through the pressure-induced polym…
High pressure effects on the superconducting transitions of beta-pyrochlore superconductors AOs2O6 (A = Cs, Rb, K) are studied by measuring resistivity under high pressures up to 10 GPa. The superconducting transition temperature Tc first…
Iron-chalcogenide superconductor Fe$_{1.03}$Se$_{0.5}$Te$_{0.5}$ has been investigated under high pressure using synchrotron based x-ray diffraction and mid-infrared reflectance measurements at room temperature. Pressure dependence of the…
We use first principles calculations to study structural, vibrational and superconducting properties of H$_2$S at pressures $P\ge 200$ GPa. The inclusion of zero point energy leads to two different possible dissociations of H$_2$S, namely…
Charge carriers in organic semiconductors form polarons, which are self-localized states stabilized by interactions with their environment. Using a dielectric-stabilized tight-binding model parameterized from first-principles calculations,…
Alkali halides $MX$, have been viewed as typical ionic compounds, characterized by 1:1 ratio necessary for charge balance between M$^+$ and X$^-$. It was proposed that group I elements like Cs can be oxidized further under high pressure.…
The electron and phonon spectra, as well as the density of electron and phonon states of the stable orthorhombic structure of hydrogen sulfide (SH2) at pressures 100-180 GPa have been calculated. It is found that the set of parallel planes…
We synthesized polycrystalline La3Ni2O7 samples by using the sol-gel method without post-annealing under high oxygen pressure, and then measured temperature-dependent resistivity under various hydrostatic pressures up to 14.5 GPa in a cubic…
The discovery of high-temperature conventional superconductivity in H3S with a critical temperature of Tc=203 K was followed by the recent record of Tc ~250 K in the face-centered cubic (fcc) lanthanum hydride LaH10 compound. It was…
Evolutionary structure searches predict three new phases of iodine polyhydrides stable under pressure. Insulating P1-H5I, consisting of zigzag chains of HI (delta+)and H2(delta-) molecules, is stable between 30-90 GPa. Cmcm-H2I and…
Recently, Troyan et al (2019 arXiv:1908.01534) and Kong et al (2019 arXiv:1909.10482) extended near-room-temperature superconductors family by new yttrium superhydride polymorphs, YHn (n = 4,6,7,9), which exhibit superconducting transition…
Measurements of temperature-dependent resistance and magnetization under hydrostatic pressures up to 2.13 GPa are reported for single-crystalline, superconducting BaBi$_3$. A temperature - pressure phase diagram is determined and the…
Phosphorene is a promising two dimensional (2D) material with a direct band gap, high carrier mobility, and anisotropic electronic properties. Phosphorene-based electronic devices, however, are found to degrade upon exposure to air. In this…
We perform a systematic first-principles study of phosphorene in the presence of typical monovalent (hydrogen, fluorine) and divalent (oxygen) impurities. The results of our modeling suggest a decomposition of phosphorene into weakly bonded…
High-pressure structural search was performed on the hydrogen-rich compound LuBeH$_8$ at pressures up to 200 GPa. We found a $Fm\overline{3}m$ structure that exhibits stability and superconductivity above 100 GPa. Our phonon dispersion,…
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…
In the present paper we report comprehensive analysis of the thermodynamic properties of novel hydrogen dominant potassium hydride superconductor (KH$_{6}$). Our computations are conducted within the Eliashberg theory which yields…
We predict by first-principles calculations that the electron-doped phosphorene is a potential BCS-like superconductor. The stretching modes at the Brillouin-zone center are remarkably softened by the electron-doping, which results in the…
Simultaneously optimizing performances, processability and fabrication cost of organic electronic materials is the continual source of compromise hindering the development of disruptive applications. In this work, we identified a strategy…
Layered ternary transition-metal chalcogenides have been focused as a vein of exploration for superconductors. In this study, TiGeTe$_{6}$ single crystals were synthesized and characterized by structural and valence state analyses and…
A polycrystalline sample of YNiGe3, being a non-magnetic isostructural counterpart to the unconventional pressure-induced superconductor CeNiGe3, was studied by means of specific heat and electrical resistivity measurements at temperatures…