<p>Using first principles calculations, we show that <InlineEquation ID="IEq1"> <InlineMediaObject> <ImageObject Color="BlackWhite" FileRef="41598_2024_84542_Article_IEq1.gif" Format="GIF" Height="20" Rendition="HTML" Resolution="72" Type="Linedraw" Width="95" /> </InlineMediaObject> <EquationSource Format="TEX">\(\hbox {Li}_x\hbox {Al}_y\hbox {B}_{2(x+y)}\)</EquationSource> </InlineEquation> materials have strong electron-phonon coupling, with many having a superconducting critical temperature (<InlineEquation ID="IEq2"> <InlineMediaObject> <ImageObject Color="BlackWhite" FileRef="41598_2024_84542_Article_IEq2.gif" Format="GIF" Height="16" Rendition="HTML" Resolution="72" Type="Linedraw" Width="18" /> </InlineMediaObject> <EquationSource Format="TEX">\(T_c\)</EquationSource> </InlineEquation>) that exceeds that of the more familiar <InlineEquation ID="IEq3"> <InlineMediaObject> <ImageObject Color="BlackWhite" FileRef="41598_2024_84542_Article_IEq3.gif" Format="GIF" Height="18" Rendition="HTML" Resolution="72" Type="Linedraw" Width="42" /> </InlineMediaObject> <EquationSource Format="TEX">\(\hbox {MgB}_2\)</EquationSource> </InlineEquation> at ambient pressure. In particular, we find that <InlineEquation ID="IEq4"> <InlineMediaObject> <ImageObject Color="BlackWhite" FileRef="41598_2024_84542_Article_IEq4.gif" Format="GIF" Height="16" Rendition="HTML" Resolution="72" Type="Linedraw" Width="50" /> </InlineMediaObject> <EquationSource Format="TEX">\(\hbox {LiAlB}_4\)</EquationSource> </InlineEquation> is the most stable member of the family, with <InlineEquation ID="IEq5"> <InlineMediaObject> <ImageObject Color="BlackWhite" FileRef="41598_2024_84542_Article_IEq5.gif" Format="GIF" Height="16" Rendition="HTML" Resolution="72" Type="Linedraw" Width="71" /> </InlineMediaObject> <EquationSource Format="TEX">\(T_c &gt; 44\,\hbox {K}\)</EquationSource> </InlineEquation> whilst the peak <InlineEquation ID="IEq6"> <InlineMediaObject> <ImageObject Color="BlackWhite" FileRef="41598_2024_84542_Article_IEq6.gif" Format="GIF" Height="16" Rendition="HTML" Resolution="72" Type="Linedraw" Width="18" /> </InlineMediaObject> <EquationSource Format="TEX">\(T_c\)</EquationSource> </InlineEquation> is with <InlineEquation ID="IEq7"> <InlineMediaObject> <ImageObject Color="BlackWhite" FileRef="41598_2024_84542_Article_IEq7.gif" Format="GIF" Height="16" Rendition="HTML" Resolution="72" Type="Linedraw" Width="57" /> </InlineMediaObject> <EquationSource Format="TEX">\(\hbox {Li}_3\hbox {AlB}_8\)</EquationSource> </InlineEquation> which has <InlineEquation ID="IEq8"> <InlineMediaObject> <ImageObject Color="BlackWhite" FileRef="41598_2024_84542_Article_IEq8.gif" Format="GIF" Height="16" Rendition="HTML" Resolution="72" Type="Linedraw" Width="71" /> </InlineMediaObject> <EquationSource Format="TEX">\(T_c &gt; 77\,\hbox {K}\)</EquationSource> </InlineEquation>. Our results reveal that these materials are both thermodynamically and dynamically stable, with strong electron-phonon coupling, indicating significant potential for practical superconducting applications.</p>

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Superconductivity in ordered Li–Al–B compounds

  • K. Hussain,
  • S. J. Donaldson,
  • E. Karaca,
  • P. J. P. Byrne,
  • P. J. Hasnip,
  • M. I. J. Probert

摘要

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.