<p>Utilizing a two-band tight-binding Hamiltonian model in conjunction with Green’s function methodology, this study examines the effects of localized <InlineEquation ID="IEq1"> <InlineMediaObject> <ImageObject Color="BlackWhite" FileRef="10825_2025_2410_Article_IEq1.gif" Format="GIF" Height="10" Rendition="HTML" Resolution="72" Type="Linedraw" Width="13" /> </InlineMediaObject> <EquationSource Format="TEX">\(\sigma\)</EquationSource> <EquationSource Format="MATHML"><math> <mi>σ</mi> </math></EquationSource> </InlineEquation> and delocalized <InlineEquation ID="IEq2"> <InlineMediaObject> <ImageObject Color="BlackWhite" FileRef="10825_2025_2410_Article_IEq2.gif" Format="GIF" Height="10" Rendition="HTML" Resolution="72" Type="Linedraw" Width="13" /> </InlineMediaObject> <EquationSource Format="TEX">\(\pi\)</EquationSource> <EquationSource Format="MATHML"><math> <mi>π</mi> </math></EquationSource> </InlineEquation> electrons on the density of states, Pauli paramagnetic susceptibility, and electronic heat capacity of a T-graphene sheet. The analysis reveals an expansion in the bandwidth and an increase in the number of Van-Hove singularities. Importantly, in addition to the magnetic characteristics, which encompass diamagnetism in graphene-based nanosystems, a paramagnetic response linked to the itinerant <InlineEquation ID="IEq3"> <InlineMediaObject> <ImageObject Color="BlackWhite" FileRef="10825_2025_2410_Article_IEq2.gif" Format="GIF" Height="10" Rendition="HTML" Resolution="72" Type="Linedraw" Width="13" /> </InlineMediaObject> <EquationSource Format="TEX">\(\pi\)</EquationSource> <EquationSource Format="MATHML"><math> <mi>π</mi> </math></EquationSource> </InlineEquation> electrons can also manifest. Furthermore, a Schottky anomaly in the heat capacity has been observed at various temperatures, attributed to the contributions from the <InlineEquation ID="IEq4"> <InlineMediaObject> <ImageObject Color="BlackWhite" FileRef="10825_2025_2410_Article_IEq1.gif" Format="GIF" Height="10" Rendition="HTML" Resolution="72" Type="Linedraw" Width="13" /> </InlineMediaObject> <EquationSource Format="TEX">\(\sigma\)</EquationSource> <EquationSource Format="MATHML"><math> <mi>σ</mi> </math></EquationSource> </InlineEquation> and <InlineEquation ID="IEq5"> <InlineMediaObject> <ImageObject Color="BlackWhite" FileRef="10825_2025_2410_Article_IEq2.gif" Format="GIF" Height="10" Rendition="HTML" Resolution="72" Type="Linedraw" Width="13" /> </InlineMediaObject> <EquationSource Format="TEX">\(\pi\)</EquationSource> <EquationSource Format="MATHML"><math> <mi>π</mi> </math></EquationSource> </InlineEquation> bands. This investigation underscores the significant contributions of both <InlineEquation ID="IEq6"> <InlineMediaObject> <ImageObject Color="BlackWhite" FileRef="10825_2025_2410_Article_IEq1.gif" Format="GIF" Height="10" Rendition="HTML" Resolution="72" Type="Linedraw" Width="13" /> </InlineMediaObject> <EquationSource Format="TEX">\(\sigma\)</EquationSource> <EquationSource Format="MATHML"><math> <mi>σ</mi> </math></EquationSource> </InlineEquation> and <InlineEquation ID="IEq7"> <InlineMediaObject> <ImageObject Color="BlackWhite" FileRef="10825_2025_2410_Article_IEq2.gif" Format="GIF" Height="10" Rendition="HTML" Resolution="72" Type="Linedraw" Width="13" /> </InlineMediaObject> <EquationSource Format="TEX">\(\pi\)</EquationSource> <EquationSource Format="MATHML"><math> <mi>π</mi> </math></EquationSource> </InlineEquation> electrons to the aforementioned physical properties.</p>

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Two-band model of T-graphene

  • Hamze Mousavi

摘要

Utilizing a two-band tight-binding Hamiltonian model in conjunction with Green’s function methodology, this study examines the effects of localized \(\sigma\) σ and delocalized \(\pi\) π electrons on the density of states, Pauli paramagnetic susceptibility, and electronic heat capacity of a T-graphene sheet. The analysis reveals an expansion in the bandwidth and an increase in the number of Van-Hove singularities. Importantly, in addition to the magnetic characteristics, which encompass diamagnetism in graphene-based nanosystems, a paramagnetic response linked to the itinerant \(\pi\) π electrons can also manifest. Furthermore, a Schottky anomaly in the heat capacity has been observed at various temperatures, attributed to the contributions from the \(\sigma\) σ and \(\pi\) π bands. This investigation underscores the significant contributions of both \(\sigma\) σ and \(\pi\) π electrons to the aforementioned physical properties.