Metallization and superconductivity in methane doped by beryllium at low pressure

Lv, Huiying; Zhang, Siyuan; Li, Meng-Hu; Hai, Yu-Long; Lü, Ning; Li, Wenjie; Zhong, Guo‐Hua

doi:10.1039/c9cp06008a

Cited by 20 publications

(7 citation statements)

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“…Especially in hydrogen-rich ternary hydrides, the high-temperature superconductivity has aroused wide concerns. − Experimentally, synthesized ionic salt BaReH 9 was found to possess a maximum T c of 7 K above 100 GPa . Theoretically, structural predictions combined with first-principles calculations reveal the different electron–phonon coupling mechanisms of Cmc 2 1 –Fe 2 SH 3 (at 173 GPa, T c = 0.3 K) and Pm 3̅–MgGeH 6 (at 200 GPa, T c = 67 K), , YSH 6 (at 210 GPa, T c = 91 K) and LaSH 6 (at 300 GPa, T c = 35 K), and so on.…”

Section: Introductionmentioning

confidence: 99%

Pressure-Driven Structural Phase Transitions and Superconductivity of Ternary Hydride MgVH₆

et al. 2021

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A systematic investigation of ternary hydride MgVH6 within the pressure range of 0–200 GPa has been performed by means of the particle swarm optimization algorithm and density functional theory. Results of an extensive structure search and full relaxation further indicate that three new phases, P21/m, C2/m, and Pmn21, appear successively with the increasing of pressure, which contain two first-order structural phase transitions from P21/m to C2/m about 32 GPa and from C2/m to Pmn21 about 93 GPa. Three phases are all metallic phases by analyzing their band structures and density of electronic states and are also dynamically and mechanically stable based on their phonon spectra and elastic properties. More importantly, the electron–phonon coupling calculation indicates that MgVH6 with Pmn21 symmetry is a promising superconductor with an estimated superconducting transition temperature of 27.6 K at 150 GPa, which is similar to the superconducting transition temperature of 35 K at 300 GPa of ternary hydride LaSH6 (Phys. Rev. B 2019, 100, 184502). Further analysis of the electron–phonon coupling mechanism shows that the superconductivity is mainly derived from the strong electron–phonon interaction of heavier transition metal V atoms.

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Section: Introductionmentioning

confidence: 99%

Pressure-Driven Structural Phase Transitions and Superconductivity of Ternary Hydride MgVH₆

et al. 2021

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“…Although the EPC of Amm 2-Ba(CH 4 ) 3 does not increase obviously, its ω log increases obviously with the increase of pressure. The superconductivity of Amm 2-Ba(CH 4 ) 3 is stronger than those of K-, Be-, and Li-doped methane solids. − A higher T c is obtained in Amm 2-Ba(CH 4 ) 3 because the Ba-doped case has bigger values of electronic DOS at the Fermi level and the EPC constant. For example, in Amm 2-Ba(CH 4 ) 3 at 90 GPa, the electronic DOS at the Fermi level and the EPC constant are 1.43 states/eV/f.u.…”

Section: Resultsmentioning

confidence: 99%

“…In this work, we therefore adopt CH 4 as the host material and explore the metallization at low pressures by combining the doping metal into the CH 4 crystal with pressure and then predict the possible high-temperature superconductivity. In previous studies, we have tried to use K, Be, and Li as charge-transfer sources and verified the feasibility of the study. − The Ba element has weaker electronegativity than Li, K, and Be which can enhance the charge transfer. At the same time, the Ba ion has a bigger radius which can improve the chemical pre-compression effect to accelerate the metallization at low pressures.…”

Section: Introductionmentioning

confidence: 83%

Phonon-Mediated Low-Pressure Superconductivity in Ternary Hydride Ba–CH₄

Jiang

Tian

Hai

et al. 2021

ACS Appl. Electron. Mater.

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To explore the low-pressure and high-temperature superconductivity of light-element compounds, based on the first-principles calculations, we have investigated the crystal structure, stability, metallization, and possible superconductivity of a ternary hydride Ba x (CH4)1–x in the pressure range of 0–100 GPa. At low pressures, the Ba-intercalating CH4 solid retains the characteristics of molecular crystals. The results show that two phases of Ba x (CH4)1–x can realize metallization and superconductivity starting from the low pressure of 10 GPa. The metallization mainly results from the charge transfer from Ba to CH4 molecules. The superconducting critical temperature is predicted to exceed 24 K at 20 GPa and reach 43.7 K at 90 GPa. Our results indicate that metal-doped methane is a potential candidate for searching the high-temperature superconductors at low pressures.

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“…For example, CH 4 , the simplest organic compound, has been reported to be able to form STHs with Mg, K, and Be under compression (Figure 7b). 116,133,134 Among them, P4/nmm MgCH 4 (Figure 6g) shows the highest T c of 121 K at 105 GPa due to strong EPC (λ = 1.45) and large H contribution (68%). 116 Similarly, Cmcm BH 2 is also regulated to become superconductive by electron doping using alkali-earth metals (e.g., Mg, Ca, Sr, and Ba), but exhibiting low T c between 14 and 25 K at 50 GPa (Figure 7b).…”

Section: Doping-induced Superconducting Transition From Insulating Bi...mentioning

confidence: 99%

Superconducting ternary hydrides under high pressure

Zhang

Zhao

Yang

2021

WIREs Comput Mol Sci

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Achieving room-temperature superconductivity is an important goal in chemistry and physics. Excitingly, pressure-induced superconducting hydrides, a typical representative of LaH 10 with a critical temperature (T c ) of 250-260 K around 180-200 GPa, bring this goal within reach, igniting an irresistible wave of discovering new H-containing superconductors. Moreover, this breakthrough finding was achieved under the guidance of theoretical prediction.Thus far, the superconductivity of binary hydrides has been extensively explored. However, the high-temperature superconductor, facilitating practical application, is still rare. Ternary hydrides can provide more abundant structures resulting from diverse chemical compositions and synergistic charge transfer, combine the merits of different elements, and induce strong electronphonon coupling, which make them an appealing contender for superconductors. Recently, much research progress has been made in pressure-induced superconducting ternary hydrides. In this regard, we summarize the recent development of superconducting ternary hydrides, highlighting the chemical composition, structure, pressure, and T c value as well as the study of doping/ substitution on the known superconducting binary hydrides. The recent stateof-the-art of theoretical approaches for predicting superconductors and fundamental characters of ternary hydrides with high T c are outlined. On the other hand, the problems, challenges, and opportunities are presented, providing an outlook for future research.

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Metallization and superconductivity in methane doped by beryllium at low pressure

Abstract: Solid methane doped by beryllium is superconducting at low pressures and its critical temperature can reach 30 K.

Cited by 20 publications

References 62 publications

Pressure-Driven Structural Phase Transitions and Superconductivity of Ternary Hydride MgVH₆

Pressure-Driven Structural Phase Transitions and Superconductivity of Ternary Hydride MgVH₆

Phonon-Mediated Low-Pressure Superconductivity in Ternary Hydride Ba–CH₄

Superconducting ternary hydrides under high pressure

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Metallization and superconductivity in methane doped by beryllium at low pressure

Abstract: Solid methane doped by beryllium is superconducting at low pressures and its critical temperature can reach 30 K.

Cited by 20 publications

References 62 publications

Pressure-Driven Structural Phase Transitions and Superconductivity of Ternary Hydride MgVH6

Pressure-Driven Structural Phase Transitions and Superconductivity of Ternary Hydride MgVH6

Phonon-Mediated Low-Pressure Superconductivity in Ternary Hydride Ba–CH4

Superconducting ternary hydrides under high pressure

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Resources

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Pressure-Driven Structural Phase Transitions and Superconductivity of Ternary Hydride MgVH₆

Pressure-Driven Structural Phase Transitions and Superconductivity of Ternary Hydride MgVH₆

Phonon-Mediated Low-Pressure Superconductivity in Ternary Hydride Ba–CH₄