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A class of iridium hydrides, IrH_x (x=0.5, 1-4, 6), is calculated at ab-initio level using the DFT. A number of hydrides are predicted to stabilize in the excess hydrogen environment and upon compression. The threshold pressure for…

Materials Science · Physics 2017-09-13 Patryk Zaleski-Ejgierd

As the simplest element in nature, unraveling the phase diagram of hydrogen is a primary task for condensed matter physics. As conjectured many decades ago, in the low-temperature and high-pressure part of the phase diagram, solid hydrogen…

Superconductivity · Physics 2023-11-14 Mehmet Dogan , Sehoon Oh , Marvin L. Cohen

Lanthanum hydride LaH$_{10}$ with a sodalitelike clathrate structure was experimentally realized to exhibit a room-temperature superconductivity under megabar pressures. Based on first-principles calculations, we reveal that the metal…

Superconductivity · Physics 2021-02-17 Seho Yi , Chongze Wang , Hyunsoo Jeon , Jun-Hyung Cho

The compression of SH$_2$ and its subsequent decomposition to SH$_3$, presumably in a cubic Im$\overline{3}$m structure, has lead to the discovery of conventional superconductivity with the highest measured and confirmed $T_c$ to date, 203…

Materials Science · Physics 2019-02-20 Maximilian Amsler

We present a comprehensive first-principles investigation of a hypothetical cubic Pm-3m phase of the ternary hydride NaAlH3, focusing on its lattice dynamics, electronic structure, and electron-phonon-mediated superconducting properties at…

Superconductivity · Physics 2026-04-27 Izabela A. Wrona , Yinwei Li , Radoslaw Szczesniak , Artur P. Durajski

Room temperature superconductivity has been achieved under high pressure in an organically derived carbonaceous sulfur hydride with a critical superconducting transition temperature (Tc) of 288 kelvin. This development is part of a new…

Simultaneous high pressure x-ray diffraction and electrical resistance measurements have been carried out on a PbO type {\alpha}-FeSe0.92 compound to a pressure of 44 GPa and temperatures down to 4 K using designer diamond anvils at…

Pressure-induced superconductivity and structural phase transitions in phosphorous (P) are studied by resistivity measurements under pressures up to 170 GPa and fully $ab-initio$ crystal structure and superconductivity calculations up to…

A systematic ab initio search for low enthalpy phases of disilane (Si_2H_6) at high pressures was performed based on the minima hopping method. We found a novel metallic phase of disilane with Cmcm symmetry, which is enthalpically more…

Li$_2$AuH$_6$ and Li$_2$AgH$_6$ have been proposed as promising candidates for high-temperature superconductors under ambient pressure. While previous studies confirm the dynamic stability of these two thermodynamically unstable systems,…

Superconductivity · Physics 2026-04-28 Yucheng Ding , Haoran Chen , Junren Shi

In this paper we present a first-principles study of the high-pressure superconducting phase diagram of calcium alanates (Ca-Al-H), based on ab-initio crystal structure prediction and anisotropic Migdal-Eliashberg Theory. Calcium alanates…

Superconductivity · Physics 2023-08-16 Simone Di Cataldo , Lilia Boeri

The maximum critical temperature for superconductivity in pressurized hydrides appears at the top of superconducting domes in Tc versus pressure curves at a particular pressure, which is not predicted by standard superconductivity theories.…

Covalent and ionic polyhydrides have become the two main camps in searching for the high-temperature superconductors under pressure. They have been considered as important platforms for exploring ternary or multiple hydrides in order to…

Superconductivity · Physics 2023-05-31 Wuhao Chen , Xiaoli Huang , Dmitrii V. Semenok , Su Chen , Kexin Zhang , Artem R. Oganov , Tian Cui

Following long-standing predictions associated with hydrogen, high-temperature superconductivity has recently been observed in several hydride-based materials. Nevertheless, these high-$T_c$ phases only exist at extremely high pressures,…

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…

Measurements on resistivity and magnetic susceptibility have been carried out for Bi single crystals under pressures up to 10.5GPa. The temperature dependent resistivity shows a semimetallic behavior at ambient and low pressures (below…

Superconductivity · Physics 2017-01-25 Yufeng Li , Enyu Wang , Xiyu Zhu , Hai-Hu Wen

We proposed a new method for synthesis of metal polyhydrides via high-pressure thermal decomposition of corresponding amidoboranes in diamond anvil cells. Within this approach, we synthesized molecular semiconducting cesium ($\textit…

Studies on polyhydrides are attracting growing attentions recently due to their potential high temperature superconductivity (SC). We here report the discovery of SC in hafnium polyhydrides at high pressures. The hafnium superhydrides are…

Elucidating the phase diagram of solid hydrogen is a key objective in condensed matter physics. Several decades ago, it was proposed that at low temperatures and high pressures, solid hydrogen would be a metal with a high superconducting…

Superconductivity · Physics 2023-11-14 Mehmet Dogan , James R. Chelikowsky , Marvin L. Cohen

Binary uranium hydrides, UHx (x = 1, 2, 3, 5, 6, 7, 8), with different crystal symmetries are potentially interesting compounds for high-Tc superconductivity and as hydrogen storage systems. In this work we have explored the structural,…

Materials Science · Physics 2023-06-12 Md. Ashraful Alam , F. Parvin , S. H. Naqib