Related papers: Computational Materials Discovery for Lanthanide H…
Superconductivity in the recently proposed ground-state structures of atomic metallic hydrogen is investigated over the pressure range 500 GPa to 3.5 TPa. Near molecular dissociation, the electron--phonon coupling $\lambda$ and renormalized…
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.…
Thermodynamic parameters of the $\rm LaH_{10}$ superconductor were an object of our interest. $\rm LaH_{10}$ is characterised by the highest experimentally observed value of the critical temperature: $T^{a}_{C}=215$~K ($p_{a}=150$~GPa) and…
Samarium hydrides, belonging to the broad class of lanthanide polyhydrides, have yet to be experimentally tested at high pressure. In this study, we use random structure searches to explore multiple possible stoichiometries and propose…
Inspired by the first boron-carbon (B-C) clathrate SrB$_3$C$_3$ and the ternary borohydride KB$_2$H$_8$ [Miao et al., Phys. Rev. B 104 L100504 (2021)], we have performed first-principles density functional theory calculations of the…
The expansiveness of compositional phase space is too vast to fully search using current theoretical tools for many emergent problems in condensed matter physics. The reliance on a deep chemical understanding is one method to identify local…
High pressure plays a crucial role in the field of superconductivity. Compressed hydride superconductors are leaders in the race for a material that can conduct electricity without resistance at high or even room temperature. In the present…
The era of near-room-temperature superconductivity started after experimental discovery by Drozdov et al (2015 Nature 525 73) who found that compressed H3S exhibits superconducting transition at Tc = 203 K. To date, the record…
High-pressure hydrogen-rich compounds have long been regarded as promising room-temperature superconductor candidates; however, their practical applications are limited by their reliance on extreme compression. This study explores…
Recent discoveries of superconductivity in hydrogen-rich compounds stabilized by high pressures have shown that a critical temperature of superconductivity Tc can reach near room temperature values. The current studies focus on the search…
Compressed hydrogen-rich compounds have received extensive attention as appealing contenders for superconductors, and further challenges are maintaining the stability and superconductivity of hydrides at lower pressures. In this work, we…
A wide variety of superconducting oxides are used to test a general model of high pressure induced transition temperature (T c) changes. The T c 's vary from a low of 24 K to a high of 164 K. Although the model is capable of predicting both…
The experimental realization of high-temperature superconductivity in compressed hydrides H$_3$S and LaH$_{10}$ at high pressures over 150 GPa has aroused great interest in reducing the stabilization pressure of superconducting hydrides.…
Motivated by unexpected reports of a 26 K superconducting transition in elemental titanium at high pressure, we carry out an accurate ab-initio study of its properties to understand the rationale for this observation. The critical…
We study superconductivity in the superionic phase of the clathrate hydride Li$_2$MgH$_{16}$, where hydrogen ions diffuse among the lattice formed by lithium and magnesium ions. By employing the stochastic path-integral approach, we…
The response of the worldwide scientific community to the discovery in 2008 of superconductivity at Tc = 26 K in the Fe-based compound LaFeAsO_{1-x}F_x has been very enthusiastic. In short order, other Fe-based superconductors with the same…
High pressure structures, phase diagram and superconductivity of polonium hydrides have been systematically investigated through the first-principles calculations based on the density functional theory. With the increasing pressure, several…
Applying pressure around megabar is indispensable in the synthesis of high-temperature superconducting hydrides, such as SH$_3$ and LaH$_{10}$. Stabilizing the high-pressure phase of hydride around ambient condition is a severe challenge.…
Exploring high-temperature superconducting (high-$T_c$) material at ambient pressure holds immense significance for physics, chemistry, and materials science. In this study, we perform a high-throughput screening of strong electron-phonon…
In 2023, superconductivity in La$_3$Ni$_2$O$_7$ was discovered under high pressures above approximately 14 GPa. In addition to its high transition temperature ($T_{\mathrm{c}} \simeq 80$ K), the structural resemblance to…