Superconductivity of boron-doped graphane under high pressure

Cheng, Yi; Wang, Xianlong; Zhou, Jie; Yang, Kaishuai; Niu, Caoping; Zhang, Zhi

doi:10.1039/c8ra10241d

Cited by 4 publications

(3 citation statements)

References 41 publications

(51 reference statements)

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“…The results indicate that the T c of B-doped dimane is not sensitive to the B substitutional sites. However, the T c of B-doped diamane is much lower than that of B-doped graphane (45-77 K) [51,52]. This is partially due to the fact that there are only one sp 3 hybridized C layer in the B-doped graphane, which may give larger electron-phonon coupling parameter (λ = 0.72) than that of B-doped diamane (λ = 0.53) with two sp 3 hybridized C layers.…”

Section: Superconductivitymentioning

confidence: 96%

Boron-dopant enhanced stability of diamane with tunable band gap

Niu¹,

Cheng²,

Yang³

et al. 2020

J. Phys.: Condens. Matter

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The structural, electronic, and superconducting properties of B-doped cubic and hexagonal diamane (single layer diamond) were investigated based on the first-principles methods. B atom tends to stay in the substitutional site, and the most stable configuration is the structure with vertical B-B dimer. The formation energy of B-doped diamane is lower than the counterpart of pristine diamane indicating that B dopant can facilitate the synthesis of diamane. The configurations with vertical B-B dimers are semiconductors with tunable band gaps, which decrease with the B concentration increasing due to the interaction between B-B dimers. For example, the band gap of 3.125 mol% and 6.25 mol% B-doped cubic diamane is 1.82 eV and 1.44 eV, respectively. Moreover, configurations with meta-stable B distributions are metals, which have comparable superconducting transition temperatures with B-doped diamond (~4 K).

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Section: Superconductivitymentioning

confidence: 96%

Boron-dopant enhanced stability of diamane with tunable band gap

Niu¹,

Cheng²,

Yang³

et al. 2020

J. Phys.: Condens. Matter

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“…[8] Many new hydrides are synthesized, [9][10][11] and record of the highest T C is broken by hydrides in rapid succession. [12][13][14][15] To explore new hydrides with T C above room temperature, the investigation into the mechanism of the high T C of H 3 S has been a hot topic and fruitful. [16][17][18][19] It is suggested that the superconductivity of H 3 S can be attributed to a conventional phonon-mediated mechanism, as it exhibits strong covalent bonds giving rise to large electron-phonon coupling.…”

Section: Introductionmentioning

confidence: 99%

Photothermal-chemical synthesis of P–S–H ternary hydride at high pressures

Ye¹,

Zeng²,

Cheng³

et al. 2022

Chinese Phys. B

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The recent discovery of room temperature superconductivity (283 K) in carbonaceous sulfur hydride (C-S-H) has attracted much interest in ternary hydrogen rich materials. In this report, ternary hydride P-S-H was synthesized through a photothermal-chemical reaction from elemental sulfur (S), phosphorus (P) and molecular hydrogen (H2) at high pressures and room temperature. Raman spectroscopy under pressure shows that H2S and PH3 compounds are synthesized after laser heating at 0.9 GPa, and a ternary van der Waals compound P-S-H is synthesized with further compression to 4.6 GPa. The P-S-H compound is probably a mixed alloy of PH3 and (H2S)2H2 with a guest-host structure similar to the C-S-H system. The ternary hydride can persist up to 35.6 GPa at least and shows two phase transitions at approximately 23.6 GPa and 32.8 GPa, respectively.

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“…However, C2/m symmetric TlFeSe 2 is the ground-state phase at ambient condition. Doping and pressuring have been proved effective in modulating superconductivity, both of which come down to affecting the superconducting pairing in essence [10][11][12][13][14][15][16][17]. By applying pressure, apart from conspicuous reconstructions, possible superconductivity with a critical-temperature (T c ) ∼ 2 K above 30 GPa was experimentally observed in TlFeSe 2 , [18] very different from the T c of FeSe SCs which is around 30 K. [19,20] Thus, TlFeSe 2 would serve as a platform for probing into the affecting factors on regulating T c and revealing the essence of superconductivity.…”

Section: Introductionmentioning

confidence: 99%

Structural, electronic and magnetic properties of TlFeSe₂ under high pressure

Zhang

Zhao

Niu

et al. 2021

J. Phys.: Condens. Matter

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The high-pressure (HP) properties of TlFeSe 2 are investigated based on the first-principles calculations combined with structure-searching method. The low-pressure C2/m phase will transform into the orthorhombic Pnma phase at 2 GPa, with 8% volume collapse, the insulator-metal transition and the bicollinear antiferromagnetic-to-nonmagnetic spin-crossover. At pressure higher than 8 GPa, the HP C2/m phase will become the ground state. Both Pnma phase and HP C2/m phase are constituted by one-dimensional chains of edge-sharing FeSe 5 tetragonal pyramids. Pressuring decrease the Se-Se bond length giving rise to the transition from [Se 2 ] 3− to [Se 2 ] 2− . Negative charge transfer causes the Fe 2+ with ∼2 μ B magnetic moment at ambient pressure and the nonmagnetic Fe 1.5+ at higher pressure. The Fermi surfaces of HP phases are also discussed.

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Superconductivity of boron-doped graphane under high pressure

Abstract: Under high-pressure, the most stable two configurations of B-doped graphane are phase-α and phase-β, and pressurization can increase their Tc significantly.

Cited by 4 publications

References 41 publications

Boron-dopant enhanced stability of diamane with tunable band gap

Boron-dopant enhanced stability of diamane with tunable band gap

Photothermal-chemical synthesis of P–S–H ternary hydride at high pressures

Structural, electronic and magnetic properties of TlFeSe₂ under high pressure

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Superconductivity of boron-doped graphane under high pressure

Abstract: Under high-pressure, the most stable two configurations of B-doped graphane are phase-α and phase-β, and pressurization can increase their Tc significantly.

Cited by 4 publications

References 41 publications

Boron-dopant enhanced stability of diamane with tunable band gap

Boron-dopant enhanced stability of diamane with tunable band gap

Photothermal-chemical synthesis of P–S–H ternary hydride at high pressures

Structural, electronic and magnetic properties of TlFeSe2 under high pressure

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Structural, electronic and magnetic properties of TlFeSe₂ under high pressure