Computational design of electride superconductors at high pressures

Superconductivity, a phenomenon with wide-ranging practical applications and theoretical significance, has led to ongoing research for novel superconducting materials. Among these, electrides have garnered significant attention due to their unique structures, characterized by interstitial anionic el...

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Main Authors: Xiaohua Zhang, Tingwei An, Guochun Yang
Format: Article
Language:English
Published: Elsevier 2025-03-01
Series:Computational Materials Today
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Online Access:http://www.sciencedirect.com/science/article/pii/S2950463524000206
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author Xiaohua Zhang
Tingwei An
Guochun Yang
author_facet Xiaohua Zhang
Tingwei An
Guochun Yang
author_sort Xiaohua Zhang
collection DOAJ
description Superconductivity, a phenomenon with wide-ranging practical applications and theoretical significance, has led to ongoing research for novel superconducting materials. Among these, electrides have garnered significant attention due to their unique structures, characterized by interstitial anionic electrons (IAEs) that reside in the voids of the crystal lattice. These IAEs play a key role in determining the electronic properties of electrides, positioning them as promising candidates for superconductivity. In this review, we present a comprehensive overview of the recent advancements in electride superconductors, particularly those driven by theoretical calculations. We emphasize their crystal structures, IAEs topologies, and superconducting transition temperatures, with a specific focus on the role of IAEs in electron-phonon coupling, a key mechanism driving superconductivity. Finally, we discuss the challenges, opportunities, and future directions for the development of high-pressure electride superconductors.
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publishDate 2025-03-01
publisher Elsevier
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series Computational Materials Today
spelling doaj-art-bd98bb7006ee4e4f9e7f9a4f790018292025-08-20T03:42:40ZengElsevierComputational Materials Today2950-46352025-03-01510002010.1016/j.commt.2024.100020Computational design of electride superconductors at high pressuresXiaohua Zhang0Tingwei An1Guochun Yang2State Key Laboratory of Metastable Materials Science & Technology and Hebei Key Laboratory of Microstructural Material Physics, School of Science, Yanshan University, Qinhuangdao 066004, ChinaState Key Laboratory of Metastable Materials Science & Technology and Hebei Key Laboratory of Microstructural Material Physics, School of Science, Yanshan University, Qinhuangdao 066004, ChinaCorresponding author.; State Key Laboratory of Metastable Materials Science & Technology and Hebei Key Laboratory of Microstructural Material Physics, School of Science, Yanshan University, Qinhuangdao 066004, ChinaSuperconductivity, a phenomenon with wide-ranging practical applications and theoretical significance, has led to ongoing research for novel superconducting materials. Among these, electrides have garnered significant attention due to their unique structures, characterized by interstitial anionic electrons (IAEs) that reside in the voids of the crystal lattice. These IAEs play a key role in determining the electronic properties of electrides, positioning them as promising candidates for superconductivity. In this review, we present a comprehensive overview of the recent advancements in electride superconductors, particularly those driven by theoretical calculations. We emphasize their crystal structures, IAEs topologies, and superconducting transition temperatures, with a specific focus on the role of IAEs in electron-phonon coupling, a key mechanism driving superconductivity. Finally, we discuss the challenges, opportunities, and future directions for the development of high-pressure electride superconductors.http://www.sciencedirect.com/science/article/pii/S2950463524000206SuperconductorsElectridesComputational designHigh pressureElectron-phonon coupling
spellingShingle Xiaohua Zhang
Tingwei An
Guochun Yang
Computational design of electride superconductors at high pressures
Computational Materials Today
Superconductors
Electrides
Computational design
High pressure
Electron-phonon coupling
title Computational design of electride superconductors at high pressures
title_full Computational design of electride superconductors at high pressures
title_fullStr Computational design of electride superconductors at high pressures
title_full_unstemmed Computational design of electride superconductors at high pressures
title_short Computational design of electride superconductors at high pressures
title_sort computational design of electride superconductors at high pressures
topic Superconductors
Electrides
Computational design
High pressure
Electron-phonon coupling
url http://www.sciencedirect.com/science/article/pii/S2950463524000206
work_keys_str_mv AT xiaohuazhang computationaldesignofelectridesuperconductorsathighpressures
AT tingweian computationaldesignofelectridesuperconductorsathighpressures
AT guochunyang computationaldesignofelectridesuperconductorsathighpressures