Emergent superconductivity in K<sub>2</sub>ReH<sub>9</sub> under pressure

Zhao, Yaping; Zhang, Xiaohua; Li, Xing; Ding, Shicong; Liu, Yong; Yang, Guochun

doi:10.1039/d2tc02842e

Cited by 8 publications

(2 citation statements)

References 65 publications

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“…The general rules of hydrogen-rich superconductors are summarized based on binary hydrides and applied to ternary hydrides with more abundant hydrogen con gurations by the diverse chemical compositions [24][25][26][27][28][29] . The explorations on ternary hydrogen-rich materials can be mainly divided into two aspects.…”

Section: Introductionmentioning

confidence: 99%

High-temperature superconductivity of ternary Y–Hf–H compounds under high pressure

Wang,

Jin,

Yang

et al. 2024

Preprint

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Compressed ternary alloy superhydrides are currently considered to be the most promising competitors for high-temperature superconducting materials. Here, the stable stoichiometries in the Y-Hf-H ternary system under pressure are comprehensively explored and four fresh phases are found: Pmna-YHfH6 and P4/mmm-YHfH7 at 200 GPa, P4/mmm-YHfH8 at 300 GPa and P-6m2-YHfH18 at 400 GPa. The four Y-Hf-H ternary phases are thermodynamically and dynamically stable at corresponding pressure. In addition, structural features, bonding characteristics, electronic properties, and superconductivity of the four ternary Y-Hf-H phases are systematically calculated and discussed. Among them, the superconducting transition temperatures (Tc) are significantly enhanced as the hydrogen content and the contribution of H atoms to the density of states at the Fermi level increase. The P-6m2-YHfH18 with high hydrogen content exhibits a high Tc value of 130 K at 400 GPa.

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Section: Introductionmentioning

confidence: 99%

High-temperature superconductivity of ternary Y–Hf–H compounds under high pressure

Wang,

Jin,

Yang

et al. 2024

Preprint

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“…Thus, with reported T c s of the superhydrides reaching temperatures not uncommon for a typical winter-day in upstate New York, the focus of research changed to predicting and synthesizing materials that could maintain high T c s, but at lower pressures, with the ultimate goal of realizing superconductivity at ambient temperature and pressure. As the structures and superconducting properties of the binary hydrides had been exhaustively searched with no such candidate found, computations turned towards predicting ternary hydrides that remained dynamically stable to pressures below 100 GPa [27][28][29], or boron-carbon analogues of the superhydrides that were stable at 1 atm [30].…”

Section: Introductionmentioning

confidence: 99%

Structure, Stability and Superconductivity of N-doped Lutetium Hydrides at kbar Pressures

Hilleke¹,

Wang²,

Luo³

et al. 2023

Preprint

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The structure of the material responsible for the room temperature and near ambient pressure superconductivity reported in an N-doped lutetium hydride [Nature, 615, 244 (2023)] has not been conclusively determined. Herein, density functional theory calculations are performed in an attempt to uncover what it might be. Guided by a range of strategies including crystal structure prediction and modifications of existing structure types, we present an array of Lu-N-H phases that are dynamically stable at experimentally relevant pressures. Although none of the structures found are thermodynamically stable, and none are expected to remain superconducting above ∼17 K at 10 kbar, a number of metallic compounds with fcc Lu lattices -as suggested by the experimental X-ray diffraction measurements of the majority phase -are identified. The system whose calculated equation of states matches best with that measured for the majority phase is fluorite-type LuH2, whose 10 kbar superconducting critical temperature was estimated to be 0.09 K using the Allen-Dynes modified McMillan equation.

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Hydrogen anion unit and high-temperature superconductivity in ternary hydride Mg3TiH12 under moderate pressures

Zhang,

Tang

et al. 2024

Materials Today Communications

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Emergent superconductivity in K₂ReH₉ under pressure

Abstract: Pressure, as a controllable thermodynamic parameter, can substantially modulate the structural topologies, e.g., phase transition, and electronic properties of the known compounds. Herein, we found that the compression of H-rich...

Cited by 8 publications

References 65 publications

High-temperature superconductivity of ternary Y–Hf–H compounds under high pressure

High-temperature superconductivity of ternary Y–Hf–H compounds under high pressure

Structure, Stability and Superconductivity of N-doped Lutetium Hydrides at kbar Pressures

Hydrogen anion unit and high-temperature superconductivity in ternary hydride Mg3TiH12 under moderate pressures

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Emergent superconductivity in K2ReH9 under pressure

Abstract: Pressure, as a controllable thermodynamic parameter, can substantially modulate the structural topologies, e.g., phase transition, and electronic properties of the known compounds. Herein, we found that the compression of H-rich...

Cited by 8 publications

References 65 publications

High-temperature superconductivity of ternary Y–Hf–H compounds under high pressure

High-temperature superconductivity of ternary Y–Hf–H compounds under high pressure

Structure, Stability and Superconductivity of N-doped Lutetium Hydrides at kbar Pressures

Hydrogen anion unit and high-temperature superconductivity in ternary hydride Mg3TiH12 under moderate pressures

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Emergent superconductivity in K₂ReH₉ under pressure