Crystal structure evolution and superconductivity of the ternary hydride 
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 under pressure

Hu, Kai; Tong, Qingjun; Guan, Li-Min; Wang, Dahui; Yu, Jinqing

doi:10.1103/physrevb.105.094108

Cited by 4 publications

(4 citation statements)

References 39 publications

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“…In recent years, many reports show that metal hydrides can achieve high-temperature * Authors to whom any correspondence should be addressed. at high pressures [5][6][7]. Especially, the discovery of the hightemperature superconductor H 3 S compound (T c of 203 K) was confirmed by magnetic susceptibility measurements, providing strong experimental evidence for the realization of roomtemperature superconductors [8].…”

Section: Introductionmentioning

confidence: 89%

Crystal structure prediction and non-superconductivity of N-doped LuH₃ at near ambient pressure

Hu,

Geng,

et al. 2023

J. Phys.: Condens. Matter

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Lanthanide polyhydrides, which have attracted the attention of researchers, are considered as a potential candidate material for high-temperature superconductivity. Especially, it is reported that N-doped LuH3 exhibits near ambient superconductivity recently. It has attracted attention to room temperature superconductivity of ternary Lu-N-H systems at near ambient pressure. Here, we constructed a LuNH3 (N-doped LuH3) compound to predict the crystal structural at relatively low pressures. We found a stable ternary LuNH3 structure with a tetragonal P4mm phase under 5 GPa. In addition, our T c calculations show that the P4mm LuNH3 structure does not exhibit superconductivity down to 0.3 K at near ambient pressure due to the H atoms hardly contribute to acoustical phonons.

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Section: Introductionmentioning

confidence: 89%

Crystal structure prediction and non-superconductivity of N-doped LuH₃ at near ambient pressure

Hu,

Geng,

et al. 2023

J. Phys.: Condens. Matter

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“…Sun et al systematically investigated the structural phase diagram of the C-S-H system [97], but only found the T c value of CSH 48 at 300 GPa is 156 K [98]. The highest T c at 300 GPa for the low-level carbon-doped C-S-H compound H 3 S 0.917 C 0.083 is estimated to be 189 K. Although many other theoretical works have also reported structural phase diagrams of C-S-H systems, the achievement of room temperature superconductivity in covalent hydrides remains a formidable challenge [99,100].…”

Section: Tuning and Optimizing The Strength Of Covalent Interactions ...mentioning

confidence: 98%

“…For instance, in the LaH 9.985 N 0.015 structure at 240 GPa, a remarkable T c of 288 K was predicted. In 2022, Hu et al examined the crystal structural evolution and potential superconductivity of the CSH 3 system under high pressure [99]. They forecasted the emergence of trigonal (R-3m) and orthorhombic (Pbcm and Pmmn) phases of CSH 3 .…”

Section: Optimizing Electronic and Phononic Band Properties To Enhanc...mentioning

confidence: 99%

Strategies for improving the superconductivity of hydrides under high pressure

Liu,

Wang,

Zhang

et al. 2024

J. Phys.: Condens. Matter

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The successful prediction and confirmation of unprecedentedly high-temperature superconductivity in compressed hydrogen-rich hydrides signify a remarkable advancement in the continuous quest for attaining room-temperature superconductivity. The recent studies have established a broad scope for developing binary and ternary hydrides and illustrated correlation between specific hydrogen motifs and high-Tcs under high pressures. The analysis of the microscopic mechanism of superconductivity in hydrides suggests that the high electronic density of states (DOS) at the Fermi level (EF), the large phonon energy scale of the vibration modes and the resulting enhanced electron-phonon coupling are crucial contributors towards the high-Tc phonon-mediated superconductor. The aim of our efforts is to tackle forthcoming challenges associated with elevating the Tc and reducing the stabilization pressures of hydrogen-based superconductors, and offer insights for the future discoveries of room-temperature superconductors. Our present Review offers an overview and analysis of the latest advancements in predicting and experimentally synthesizing various crystal structures, while also exploring strategies to enhance the superconductivity and reducing their stabilization pressures of hydrogen-rich hydrides.

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“…Subsequently, researchers have theoretically studied C-doped H 3 S or performed comprehensive theoretical predictions on the phase diagram of the C–S–H system, and they did not find any thermodynamically stable ternary compounds. Some dynamically stable ternary compounds exhibit high-temperature superconductivity, such as CS 2 H 10 (95 K at 50 GPa) [ 55 ], C 2 S 2 H 4 (16.47 K at 300 GPa) [ 56 ], CSH 3 (98 K at 250 GPa) [ 57 ], CS 3 H 13 (142 K at 270 GPa) [ 58 ] H 3 S 0.917 C 0.083 (189 K at 300 GPa) [ 59 ], etc., but their T c values are still far from room temperature.…”

Section: Lower the Superconducting Stable Pressure In Ternary Hydridesmentioning

confidence: 99%

Superconducting ternary hydrides: progress and challenges

Zhao,

Huang,

Zhang

et al. 2023

National Science Review

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Since the discovery of high-temperature superconductors H3S and LaH10 under high pressure, compressed hydrides have received extensive attention as promising candidates for room temperature superconductors. As the results of current high-pressure theoretical and experiments studies, almost all the binary hydrides with high superconducting transition temperature (Tc) require extremely high pressure to remain stable, hindering any practical applications. In order to further lower the stable pressure and improve the superconductivity, researchers started exploring ternary hydrides and have made many achievements in recent years. Here, we discuss recent progress in ternary hydrides, aiming to deepen the understanding of the key factors regulating the structural stability and superconductivity of ternary hydrides, such as structural motifs, bonding features, electronic structure, electron-phonon coupling etc. Furthermore, the current issues and challenges of superconducting ternary hydrides are presented, together with the prospects and opportunities for future research.

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Crystal structure evolution and superconductivity of the ternary hydride CSH3 under pressure

Cited by 4 publications

References 39 publications

Crystal structure prediction and non-superconductivity of N-doped LuH₃ at near ambient pressure

Crystal structure prediction and non-superconductivity of N-doped LuH₃ at near ambient pressure

Strategies for improving the superconductivity of hydrides under high pressure

Superconducting ternary hydrides: progress and challenges

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Crystal structure evolution and superconductivity of the ternary hydride CSH3 under pressure

Cited by 4 publications

References 39 publications

Crystal structure prediction and non-superconductivity of N-doped LuH3 at near ambient pressure

Crystal structure prediction and non-superconductivity of N-doped LuH3 at near ambient pressure

Strategies for improving the superconductivity of hydrides under high pressure

Superconducting ternary hydrides: progress and challenges

Contact Info

Product

Resources

About

Crystal structure prediction and non-superconductivity of N-doped LuH₃ at near ambient pressure

Crystal structure prediction and non-superconductivity of N-doped LuH₃ at near ambient pressure