Superconductivity in ordered Li–Al–B compounds

Mohammed Hussain; Scott Donaldson; Ertugrul Karaca; Peter John Phares Byrne; Philip James Hasnip; Matt Probert

doi:10.1038/s41598-024-84542-6

Superconductivity in ordered Li–Al–B compounds

Mohammed Hussain, Scott Donaldson, Ertugrul Karaca, Peter John Phares Byrne, Philip James Hasnip, Matt Probert^*

^*Corresponding author for this work

Physics

Research output: Contribution to journal › Article › peer-review

Abstract

Using first principles calculations, we show that Li_xAl_yB_2(x+y) materials have strong electron-phonon coupling, with many having a superconducting critical temperature (T_c) that exceeds that of the more familiar MgB_2 at ambient pressure. In particular, we find that LiAlB_4 is the most stable member of the family, with T_c>44K whilst the peak T_c is with Li_3AlB_8 which has T_c>77K. Our results reveal that these materials are both thermodynamically and dynamically stable, with strong electron-phonon coupling, indicating significant potential for practical superconducting applications.

Original language	English
Article number	19
Number of pages	9
Journal	Scientific Reports
Volume	15
DOIs	https://doi.org/10.1038/s41598-024-84542-6
Publication status	Published - 2 Jan 2025

Bibliographical note

Keywords

SUPERCONDUCTIVITY
Li_Al_B phases
electron-phonon coupling
electronic structure

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10.1038/s41598-024-84542-6Licence: CC BY

Superconductivity in ordered Li–Al–B compounds
© The Author(s) 2025
Final published version, 5.38 MBLicence: CC BY

Input files for Li-Al-B
Hussain, M. (Creator), Donaldson, S. (Creator), Karaca, E. (Creator), Byrne, P. J. P. (Creator), Hasnip, P. J. (Creator) & Probert, M. (Creator), University of York, 1 Jul 2024
DOI: 10.15124/f7a8d4f7-2f7b-4992-a84d-3dbeec36b995
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title = "Superconductivity in ordered Li–Al–B compounds",

abstract = "Using first principles calculations, we show that Li_xAl_yB_2(x+y) materials have strong electron-phonon coupling, with many having a superconducting critical temperature (T_c) that exceeds that of the more familiar MgB_2 at ambient pressure. In particular, we find that LiAlB_4 is the most stable member of the family, with T_c>44K whilst the peak T_c is with Li_3AlB_8 which has T_c>77K. Our results reveal that these materials are both thermodynamically and dynamically stable, with strong electron-phonon coupling, indicating significant potential for practical superconducting applications.",

keywords = "SUPERCONDUCTIVITY, Li_Al_B phases, electron-phonon coupling, electronic structure",

author = "Mohammed Hussain and Scott Donaldson and Ertugrul Karaca and Byrne, {Peter John Phares} and Hasnip, {Philip James} and Matt Probert",

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T1 - Superconductivity in ordered Li–Al–B compounds

AU - Hussain, Mohammed

AU - Donaldson, Scott

AU - Karaca, Ertugrul

AU - Byrne, Peter John Phares

AU - Hasnip, Philip James

AU - Probert, Matt

PY - 2025/1/2

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N2 - Using first principles calculations, we show that Li_xAl_yB_2(x+y) materials have strong electron-phonon coupling, with many having a superconducting critical temperature (T_c) that exceeds that of the more familiar MgB_2 at ambient pressure. In particular, we find that LiAlB_4 is the most stable member of the family, with T_c>44K whilst the peak T_c is with Li_3AlB_8 which has T_c>77K. Our results reveal that these materials are both thermodynamically and dynamically stable, with strong electron-phonon coupling, indicating significant potential for practical superconducting applications.

AB - Using first principles calculations, we show that Li_xAl_yB_2(x+y) materials have strong electron-phonon coupling, with many having a superconducting critical temperature (T_c) that exceeds that of the more familiar MgB_2 at ambient pressure. In particular, we find that LiAlB_4 is the most stable member of the family, with T_c>44K whilst the peak T_c is with Li_3AlB_8 which has T_c>77K. Our results reveal that these materials are both thermodynamically and dynamically stable, with strong electron-phonon coupling, indicating significant potential for practical superconducting applications.

KW - SUPERCONDUCTIVITY

KW - Li_Al_B phases

KW - electron-phonon coupling

KW - electronic structure

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SN - 2045-2322

VL - 15

JO - Scientific Reports

JF - Scientific Reports

M1 - 19

ER -

Superconductivity in ordered Li–Al–B compounds

Abstract

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Keywords

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