Superconductivity in ordered Li–Al–B compounds

Abstract Using first principles calculations, we show that $$\hbox {Li}_x\hbox {Al}_y\hbox {B}_{2(x+y)}$$ materials have strong electron-phonon coupling, with many having a superconducting critical temperature ( $$T_c$$ ) that exceeds that of the more familiar $$\hbox {MgB}_2$$ at ambient pressure....

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Main Authors: K. Hussain, S. J. Donaldson, E. Karaca, P. J. P. Byrne, P. J. Hasnip, M. I. J. Probert
Format: Article
Language:English
Published: Nature Portfolio 2025-01-01
Series:Scientific Reports
Online Access:https://doi.org/10.1038/s41598-024-84542-6
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author K. Hussain
S. J. Donaldson
E. Karaca
P. J. P. Byrne
P. J. Hasnip
M. I. J. Probert
author_facet K. Hussain
S. J. Donaldson
E. Karaca
P. J. P. Byrne
P. J. Hasnip
M. I. J. Probert
author_sort K. Hussain
collection DOAJ
description Abstract Using first principles calculations, we show that $$\hbox {Li}_x\hbox {Al}_y\hbox {B}_{2(x+y)}$$ materials have strong electron-phonon coupling, with many having a superconducting critical temperature ( $$T_c$$ ) that exceeds that of the more familiar $$\hbox {MgB}_2$$ at ambient pressure. In particular, we find that $$\hbox {LiAlB}_4$$ is the most stable member of the family, with $$T_c > 44\,\hbox {K}$$ whilst the peak $$T_c$$ is with $$\hbox {Li}_3\hbox {AlB}_8$$ which has $$T_c > 77\,\hbox {K}$$ . Our results reveal that these materials are both thermodynamically and dynamically stable, with strong electron-phonon coupling, indicating significant potential for practical superconducting applications.
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spelling doaj-art-2b99bd24ab304f808a76ac9864be3a6b2025-08-20T02:26:33ZengNature PortfolioScientific Reports2045-23222025-01-011511910.1038/s41598-024-84542-6Superconductivity in ordered Li–Al–B compoundsK. Hussain0S. J. Donaldson1E. Karaca2P. J. P. Byrne3P. J. Hasnip4M. I. J. Probert5School of Physics, Engineering and Technology, University of YorkSchool of Physics, Engineering and Technology, University of YorkSchool of Physics, Engineering and Technology, University of YorkSchool of Physics, Engineering and Technology, University of YorkSchool of Physics, Engineering and Technology, University of YorkSchool of Physics, Engineering and Technology, University of YorkAbstract Using first principles calculations, we show that $$\hbox {Li}_x\hbox {Al}_y\hbox {B}_{2(x+y)}$$ materials have strong electron-phonon coupling, with many having a superconducting critical temperature ( $$T_c$$ ) that exceeds that of the more familiar $$\hbox {MgB}_2$$ at ambient pressure. In particular, we find that $$\hbox {LiAlB}_4$$ is the most stable member of the family, with $$T_c > 44\,\hbox {K}$$ whilst the peak $$T_c$$ is with $$\hbox {Li}_3\hbox {AlB}_8$$ which has $$T_c > 77\,\hbox {K}$$ . Our results reveal that these materials are both thermodynamically and dynamically stable, with strong electron-phonon coupling, indicating significant potential for practical superconducting applications.https://doi.org/10.1038/s41598-024-84542-6
spellingShingle K. Hussain
S. J. Donaldson
E. Karaca
P. J. P. Byrne
P. J. Hasnip
M. I. J. Probert
Superconductivity in ordered Li–Al–B compounds
Scientific Reports
title Superconductivity in ordered Li–Al–B compounds
title_full Superconductivity in ordered Li–Al–B compounds
title_fullStr Superconductivity in ordered Li–Al–B compounds
title_full_unstemmed Superconductivity in ordered Li–Al–B compounds
title_short Superconductivity in ordered Li–Al–B compounds
title_sort superconductivity in ordered li al b compounds
url https://doi.org/10.1038/s41598-024-84542-6
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AT sjdonaldson superconductivityinorderedlialbcompounds
AT ekaraca superconductivityinorderedlialbcompounds
AT pjpbyrne superconductivityinorderedlialbcompounds
AT pjhasnip superconductivityinorderedlialbcompounds
AT mijprobert superconductivityinorderedlialbcompounds