[HTML][HTML] A perspective on conventional high-temperature superconductors at high pressure: Methods and materials
Two hydrogen-rich materials, H 3 S and LaH 10, synthesized at megabar pressures, have
revolutionized the field of condensed matter physics providing the first glimpse to the …
revolutionized the field of condensed matter physics providing the first glimpse to the …
Superconducting hydrides under pressure
The measurement of superconductivity at above 200 K in compressed samples of hydrogen
sulfide and in lanthanum hydride at 250 K is reinvigorating the search for conventional high …
sulfide and in lanthanum hydride at 250 K is reinvigorating the search for conventional high …
[HTML][HTML] High-temperature superconductivity in alkaline and rare earth polyhydrides at high pressure: A theoretical perspective
The theoretical exploration of the phase diagrams of binary hydrides under pressure using
ab initio crystal structure prediction techniques coupled with first principles calculations has …
ab initio crystal structure prediction techniques coupled with first principles calculations has …
Designing high-TC superconductors with BCS-inspired screening, density functional theory, and deep-learning
K Choudhary, K Garrity - npj Computational Materials, 2022 - nature.com
We develop a multi-step workflow for the discovery of conventional superconductors, starting
with a Bardeen–Cooper–Schrieffer inspired pre-screening of 1736 materials with high …
with a Bardeen–Cooper–Schrieffer inspired pre-screening of 1736 materials with high …
The XtalOpt evolutionary algorithm for crystal structure prediction
Significant progress has been made in the field of a priori crystal structure prediction, with a
number of recent remarkable success stories. Herein, we briefly outline the methods that …
number of recent remarkable success stories. Herein, we briefly outline the methods that …
Predicting novel superconducting hydrides using machine learning approaches
MJ Hutcheon, AM Shipley, RJ Needs - Physical Review B, 2020 - APS
The search for superconducting hydrides has, so far, largely focused on finding materials
exhibiting the highest possible critical temperatures (T c). This has led to a bias toward …
exhibiting the highest possible critical temperatures (T c). This has led to a bias toward …
Computational high‐pressure chemistry: Ab initio simulations of atoms, molecules, and extended materials in the gigapascal regime
F Zeller, CM Hsieh, W Dononelli… - Wiley Interdisciplinary …, 2024 - Wiley Online Library
The field of liquid‐phase and solid‐state high‐pressure chemistry has exploded since the
advent of the diamond anvil cell, an experimental technique that allows the application of …
advent of the diamond anvil cell, an experimental technique that allows the application of …
Synthesis and Magnetic Properties of Iron Polyhydrides at Megabar Pressures
Iron polyhydrides have been synthesized at pressures of 77–157 GPa and temperatures up
to 2000 K by the laser heating of an iron–borazane (ammonia borane NH3BH3) sample in …
to 2000 K by the laser heating of an iron–borazane (ammonia borane NH3BH3) sample in …
Phase diagrams of iron hydrides at pressures of 100–400 GPa and temperatures of 0–5000 K
The stability of Fe 4 H, Fe 2 H, FeH, Fe 3 H 5, FeH 2, FeH 3, FeH 4, Fe 3 H 13, FeH 5, and
FeH 6 iron hydrides at temperatures of 0–5000 K and pressures of 100–400 GPa has been …
FeH 6 iron hydrides at temperatures of 0–5000 K and pressures of 100–400 GPa has been …
Evidence of Phonon‐Mediated Superconductivity in LaH10 at High Pressure
Motivated by the recent experimental discovery of the high‐critical‐temperature
superconductor LaH10 (250–260 K at high pressures 170–190 GPa), the influence of H …
superconductor LaH10 (250–260 K at high pressures 170–190 GPa), the influence of H …