Related papers: Ambient pressure high temperature superconductivit…
Hydrogen-rich hydrides attract great attention due to recent theoretical (1) and then experimental discovery of record high-temperature superconductivity in H3S (Tc = 203 K at 155 GPa (2)). Here we search for stable uranium hydrides at…
Due to its low atomic mass hydrogen is the most promising element to search for high-temperature phononic superconductors. However, metallic phases of hydrogen are only expected at extreme pressures (400 GPa or higher). The measurement of a…
The high pressure phases of HBr are explored with an ab initio crystal structure search. By taking into account the contribution of zero-point energy (ZPE), we find that the P4/nmm phase of HBr is thermodynamically stable in the pressure…
We studied the evolution of superconductivity (sc) and antiferromagnetism (afm) in the heavy fermion compound CePt_3Si with hydrostatic pressure. We present a pressure-temperature phase diagram established by electrical transport…
Mg$_2$IrH$_6$ is a metastable complex metal hydride with a predicted superconducting transition temperature as high as 170 K at ambient pressure. Following the synthesis of isomorphic, insulating Mg$_2$IrH$_5$ at low pressure,…
We used our developed AI search engine~(InvDesFlow) to perform extensive investigations regarding ambient stable superconducting hydrides. A cubic structure Li$_2$AuH$_6$ with Au-H octahedral motifs is identified to be a candidate. After…
The search for conventional superconductors with high transition temperatures ($T_c$) has largely focused on intrinsically metallic compounds. In this work, we explore the potential of intrinsically non-metallic compounds to exhibit…
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…
The pressure dependences of the antiferromagnetic and superconducting transition temperatures have been investigated by ac heat capacity measurement under high pressures for the heavy-fermion superconductor CePt$_3$Si without inversion…
The structures of compressed rubidium polyhydrides, RbHn with n>1, and their evolution under pressure are studied using density functional theory calculations. These phases, which start to stabilize at only P=2 GPa, consist of Rb+ cations…
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…
High-pressure structural searches of superhydrides CeBeH$_8$ and CeBH$_8$ were performed under ambient pressure up to 300 GPa. We identify $Fm\overline{3}m$-CeBeH$_8$ with a superconducting transition temperature $T_{c}$ of 56 K at 10 GPa.…
The discovery of ambient superconductivity would mark an epochal breakthrough long-awaited for over a century, potentially ushering in unprecedented scientific and technological advancements. The recent findings on high-temperature…
We investigated the non centrosymmetric superconductors CePt$_3$Si and UIr by the ac heat capacity measurement under pressures. We determined the pressure phase diagrams of these compounds. In CePt$_3$Si, the N\'{e}el temperature $T_{\rm…
Binary hydrides formed by the pnictogens of phosphorus, arsenic and antimony are studied at high pressures using first principles methods. Stable structures are predicted and their electronic, vibrational and superconducting properties are…
Making use of first-principles calculations, we analyze the effect of quantum ionic fluctuations and lattice anharmonicity on the crystal structure and superconductivity of P63/mmc ScH6 in the 100-160 GPa pressure range within the…
The discoveries of high-temperature superconductivity in H3S and LaH10 have excited the search for superconductivity in compressed hydrides. In contrast to rapidly expanding theoretical studies, high-pressure experiments on hydride…
Inspired by the synthesis of XB3C3 (X= Sr, La) compounds in the bipartite sodalite clathrate structure, density functional theory (DFT) calculations are performed on members of this family containing up to two different metal atoms. A…
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…
Over the past decade, a combination of crystal structure prediction techniques and experimental synthetic work has thoroughly explored the phase diagrams of binary hydrides under pressure. The fruitfulness of this dual approach is…