Structure prediction drives materials discovery

AR Oganov, CJ Pickard, Q Zhu, RJ Needs - Nature Reviews Materials, 2019 - nature.com
Progress in the discovery of new materials has been accelerated by the development of
reliable quantum-mechanical approaches to crystal structure prediction. The properties of a …

Materials discovery at high pressures

L Zhang, Y Wang, J Lv, Y Ma - Nature Reviews Materials, 2017 - nature.com
Pressure is a fundamental thermodynamic variable that can be used to control the properties
of materials, because it reduces interatomic distances and profoundly modifies electronic …

Stoichiometric Ternary Superhydride as a New Template for High-Temperature Superconductivity at 110 K under 80 GPa

Y Song, J Bi, Y Nakamoto, K Shimizu, H Liu, B Zou… - Physical Review Letters, 2023 - APS
The search for high-temperature superconducting superhydrides has recently moved into a
new phase by going beyond extensively probed binary compounds and focusing on ternary …

Superconductivity at 250 K in lanthanum hydride under high pressures

AP Drozdov, PP Kong, VS Minkov, SP Besedin… - Nature, 2019 - nature.com
With the discovery of superconductivity at 203 kelvin in H3S, attention returned to
conventional superconductors with properties that can be described by the Bardeen …

Superconductivity at 253 K in lanthanum–yttrium ternary hydrides

DV Semenok, IA Troyan, AG Ivanova, AG Kvashnin… - Materials Today, 2021 - Elsevier
Here we report the high-pressure synthesis of a series of lanthanum–yttrium ternary
hydrides obtained at pressures of 170–196 GPa via the laser heating of P6 3/mmc La–Y …

Superconductivity up to 243 K in the yttrium-hydrogen system under high pressure

P Kong, VS Minkov, MA Kuzovnikov… - Nature …, 2021 - nature.com
The discovery of superconducting H3S with a critical temperature T c∼ 200 K opened a
door to room temperature superconductivity and stimulated further extensive studies of …

Route to a superconducting phase above room temperature in electron-doped hydride compounds under high pressure

Y Sun, J Lv, Y Xie, H Liu, Y Ma - Physical review letters, 2019 - APS
The recent theory-orientated discovery of record high-temperature superconductivity (T c∼
250 K) in sodalitelike clathrate LaH 10 is an important advance toward room-temperature …

Anomalous High‐Temperature Superconductivity in YH6

IA Troyan, DV Semenok, AG Kvashnin… - Advanced …, 2021 - Wiley Online Library
Pressure‐stabilized hydrides are a new rapidly growing class of high‐temperature
superconductors, which is believed to be described within the conventional phonon …

Hydrogen clathrate structures in rare earth hydrides at high pressures: possible route to room-temperature superconductivity

F Peng, Y Sun, CJ Pickard, RJ Needs, Q Wu, Y Ma - Physical review letters, 2017 - APS
Room-temperature superconductivity has been a long-held dream and an area of intensive
research. Recent experimental findings of superconductivity at 200 K in highly compressed …

Potential high-Tc superconducting lanthanum and yttrium hydrides at high pressure

H Liu, II Naumov, R Hoffmann… - Proceedings of the …, 2017 - National Acad Sciences
A systematic structure search in the La–H and Y–H systems under pressure reveals some
hydrogen-rich structures with intriguing electronic properties. For example, LaH10 is found …