As-Li electrides under high pressure: Superconductivity, plastic, and superionic states

Wan, Zhongyu; Xu, Wenjun; Yang, Tianyi; Zhang, Ruiqin

doi:10.1103/physrevb.106.l060506

Cited by 15 publications

(19 citation statements)

References 46 publications

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“…The Sun group reported a unique Li 6 Al electride with spherical-shell like IAEs and ultrahigh negative oxidation state of the Al atom (−4 at least) at 150 GPa, which has been predicted to show both the superconductivity and superionicity. 18 Such intriguing dynamic properties of electrons and ions have also been reported in pressure-stabilized Li 5 N 19 and Li 7 As 20 electrides by Zhang and his coauthors. The Cui group proposed two superconducting Li 6 C electrides, 21 which can be stabilized below one million atmospheres by the sp-hybridized cage-like IAEs.…”

Section: Introductionsupporting

confidence: 57%

“…P and As atoms have shown the ability of forming Li-based electrides with diverse IAEs and interesting superconductivity. 6,20 Compared with As, Sb with a weaker electronegativity and larger atomic radius, in this work, we have explored the high-pressure phase diagram formed by it and Li, and identified a stable electride, C2/m-I Li 11 Sb 2 , consisting of stacked planar Li-Sb layers. Through decompression, the Li 4 rings in the Li-Sb layers undergo an IAE-mediated in-plane rotation, which not only unloads a driving force for structural transformation but also alters the IAE topologies.…”

Section: Introductionmentioning

confidence: 99%

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Superconducting Li₁₁Sb₂ electride at ambient pressure

Zhao,

Gao,

Zhang

et al. 2023

J. Mater. Chem. C

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Section: Introductionsupporting

confidence: 57%

Section: Introductionmentioning

confidence: 99%

Superconducting Li₁₁Sb₂ electride at ambient pressure

Zhao,

Gao,

Zhang

et al. 2023

J. Mater. Chem. C

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“…For example, Ca 2 N [6] and Y 2 C [1] can be used as anode materials for Na cells, and their theoretical capacities can reach 1138 mAh g −1 [7] and 564 mAh g −1 [8]. In addition, electrides also exhibit novel physical properties due to the high concentration of electrons in the lattice making it superconducting at low temperatures, such as Li 6 P [9], Li 6 C [10], and Li 7 As [11]. The electride NaLi [12] also can be used as an insulator material.…”

Section: Introductionmentioning

confidence: 99%

Predicted superconductivity and superionic state in the electride Li₅N under high pressure

et al. 2022

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Recently, electrides have received increasing attention due to their multifunctional properties as superconducting, catalytic, insulating, and electrode materials, with potential to offer other performance and possess novel physical states. This work uncovers that Li5N as an electride possess four novel physical states simultaneously: electride state, super-coordinated state, superconducting state, and superionic state. By obtaining high-pressure phase diagrams of the Li–N system at 150–350 GPa using a crystal structure search algorithm, we find that Li5N can remain stable as P6/mmm structure and has a 14-fold super-coordination number, as verified by Bader charge and electron localization function analysis. Its superconducting transition temperature reaches the highest at 150 GPa (T c = 48.97 K). Besides, Li5N exhibits the superionic state at 3000 K, in which N atoms act like solid, while some Li atoms flow like liquid. The above results are further verified at a macroscopic level by using deep learning potential molecular dynamics simulations.

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“…Recently, electrides have attracted increasing attention − due to the unusual physical state of electrons localized in crystalline voids. In such systems, the presence of interstitial electrons can have a strong influence on their physical and chemical properties.…”

Section: Introductionmentioning

confidence: 99%

Electronic Transport via Interstitial States in Mayenite Electride

et al. 2023

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Earlier theoretical calculations of the Seebeck coefficient of mayenite electride have shown that electrons are the major type of charge carriers, while experimental measurements show that the carriers are holes. We investigated the interplay between the experimentally observed deformation of Ca–Al–O cages in mayenite electride and its transport properties to reveal the reasons for this discrepancy. We found that the deformation of individual cages lifts the degeneracy of the electride subsystem and induces the localization of electrons in these interstices. This leads to significant changes in the band structure near the Fermi level, accompanied by splitting of the electride states into two subsystems separated by an indirect energy gap. As a result, the sign of the Seebeck coefficient changes and becomes positive, indicating that holes are the main type of charge carriers in accordance with the experimental observations. This outcome confirms that the mayenite electride subsystem cannot be considered as a homogeneous gas of free electrons but should be considered as partially localized electrons that can move through the crystal together with local deformations.

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As-Li electrides under high pressure: Superconductivity, plastic, and superionic states

Cited by 15 publications

References 46 publications

Superconducting Li₁₁Sb₂ electride at ambient pressure

Superconducting Li₁₁Sb₂ electride at ambient pressure

Predicted superconductivity and superionic state in the electride Li₅N under high pressure

Electronic Transport via Interstitial States in Mayenite Electride

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As-Li electrides under high pressure: Superconductivity, plastic, and superionic states

Cited by 15 publications

References 46 publications

Superconducting Li11Sb2 electride at ambient pressure

Superconducting Li11Sb2 electride at ambient pressure

Predicted superconductivity and superionic state in the electride Li5N under high pressure

Electronic Transport via Interstitial States in Mayenite Electride

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Product

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Superconducting Li₁₁Sb₂ electride at ambient pressure

Superconducting Li₁₁Sb₂ electride at ambient pressure

Predicted superconductivity and superionic state in the electride Li₅N under high pressure