<p>1<InlineEquation ID="IEq7"> <InlineMediaObject> <ImageObject Color="BlackWhite" FileRef="41598_2025_1593_Article_IEq7.gif" Format="GIF" Height="16" Rendition="HTML" Resolution="72" Type="Linedraw" Width="18" /> </InlineMediaObject> <EquationSource Format="TEX">\(\hbox {T}^{\prime }\)</EquationSource> </InlineEquation> phase of the monolayer transition metal dichalcogenides has recently attracted attention for its potential in nanoelectronic applications. We theoretically prove the topological behavior and phase transition of 1<InlineEquation ID="IEq8"> <InlineMediaObject> <ImageObject Color="BlackWhite" FileRef="41598_2025_1593_Article_IEq7.gif" Format="GIF" Height="16" Rendition="HTML" Resolution="72" Type="Linedraw" Width="18" /> </InlineMediaObject> <EquationSource Format="TEX">\(\hbox {T}^{\prime }\)</EquationSource> </InlineEquation>-<InlineEquation ID="IEq9"> <InlineMediaObject> <ImageObject Color="BlackWhite" FileRef="41598_2025_1593_Article_IEq2.gif" Format="GIF" Height="16" Rendition="HTML" Resolution="72" Type="Linedraw" Width="39" /> </InlineMediaObject> <EquationSource Format="TEX">\(\hbox {MoS}_2\)</EquationSource> </InlineEquation> using <i>k</i>.<i>p</i> Hamiltonian and linear response theory. The spin texture in momentum space reveals a strong spin-momentum locking with different orientations for the valence and conduction bands. Also, Berry curvature distributions around the Dirac points highlight the influence of <InlineEquation ID="IEq10"> <InlineMediaObject> <ImageObject Color="BlackWhite" FileRef="41598_2025_1593_Article_IEq10.gif" Format="GIF" Height="10" Rendition="HTML" Resolution="72" Type="Linedraw" Width="14" /> </InlineMediaObject> <EquationSource Format="TEX">\(\alpha\)</EquationSource> </InlineEquation> parameter demonstrating a topological phase transition in 1<InlineEquation ID="IEq11"> <InlineMediaObject> <ImageObject Color="BlackWhite" FileRef="41598_2025_1593_Article_IEq1.gif" Format="GIF" Height="16" Rendition="HTML" Resolution="72" Type="Linedraw" Width="18" /> </InlineMediaObject> <EquationSource Format="TEX">\(\hbox {T}^\prime\)</EquationSource> </InlineEquation>-<InlineEquation ID="IEq12"> <InlineMediaObject> <ImageObject Color="BlackWhite" FileRef="41598_2025_1593_Article_IEq2.gif" Format="GIF" Height="16" Rendition="HTML" Resolution="72" Type="Linedraw" Width="39" /> </InlineMediaObject> <EquationSource Format="TEX">\(\hbox {MoS}_2\)</EquationSource> </InlineEquation>. For <InlineEquation ID="IEq13"> <InlineMediaObject> <ImageObject Color="BlackWhite" FileRef="41598_2025_1593_Article_IEq13.gif" Format="GIF" Height="13" Rendition="HTML" Resolution="72" Type="Linedraw" Width="43" /> </InlineMediaObject> <EquationSource Format="TEX">\(\alpha &lt;1\)</EquationSource> </InlineEquation> the spin Hall conductivity is the only non-zero term <InlineEquation ID="IEq14"> <InlineMediaObject> <ImageObject Color="BlackWhite" FileRef="41598_2025_1593_Article_IEq14.gif" Format="GIF" Height="19" Rendition="HTML" Resolution="72" Type="Linedraw" Width="56" /> </InlineMediaObject> <EquationSource Format="TEX">\((C_s=1\)</EquationSource> </InlineEquation> and <InlineEquation ID="IEq15"> <InlineMediaObject> <ImageObject Color="BlackWhite" FileRef="41598_2025_1593_Article_IEq15.gif" Format="GIF" Height="19" Rendition="HTML" Resolution="72" Type="Linedraw" Width="56" /> </InlineMediaObject> <EquationSource Format="TEX">\(C_v=0)\)</EquationSource> </InlineEquation>, corresponding to a quantum spin Hall insulator (QSHI) phase, while for <InlineEquation ID="IEq16"> <InlineMediaObject> <ImageObject Color="BlackWhite" FileRef="41598_2025_1593_Article_IEq16.gif" Format="GIF" Height="13" Rendition="HTML" Resolution="72" Type="Linedraw" Width="43" /> </InlineMediaObject> <EquationSource Format="TEX">\(\alpha&gt;1\)</EquationSource> </InlineEquation>, valley Hall conductivity prevails, indicating a transition to a band insulator (BI). Further analysis explores the spin-valley-resolved Hall conductivity and Chern numbers across varying values of <InlineEquation ID="IEq17"> <InlineMediaObject> <ImageObject Color="BlackWhite" FileRef="41598_2025_1593_Article_IEq10.gif" Format="GIF" Height="10" Rendition="HTML" Resolution="72" Type="Linedraw" Width="14" /> </InlineMediaObject> <EquationSource Format="TEX">\(\alpha\)</EquationSource> </InlineEquation>, <i>V</i>, and Fermi energy, uncovering regions of non-trivial and trivial topological phases (TTP) and the role of the edge modes. The zero total Nernst coefficient across energy ranges suggests strong cancellation between spin and valley contributions, providing insights into the material’s potential for thermoelectric applications and spintronic devices.</p>

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Topological phase transition in monolayer 1\(\hbox {T}^\prime\)-\(\hbox {MoS}_2\)

  • Mohammad Mortezaei Nobahari,
  • Mahmood rezaei Roknabadi

摘要

1 \(\hbox {T}^{\prime }\) phase of the monolayer transition metal dichalcogenides has recently attracted attention for its potential in nanoelectronic applications. We theoretically prove the topological behavior and phase transition of 1 \(\hbox {T}^{\prime }\) - \(\hbox {MoS}_2\) using k.p Hamiltonian and linear response theory. The spin texture in momentum space reveals a strong spin-momentum locking with different orientations for the valence and conduction bands. Also, Berry curvature distributions around the Dirac points highlight the influence of \(\alpha\) parameter demonstrating a topological phase transition in 1 \(\hbox {T}^\prime\) - \(\hbox {MoS}_2\) . For \(\alpha <1\) the spin Hall conductivity is the only non-zero term \((C_s=1\) and \(C_v=0)\) , corresponding to a quantum spin Hall insulator (QSHI) phase, while for \(\alpha>1\) , valley Hall conductivity prevails, indicating a transition to a band insulator (BI). Further analysis explores the spin-valley-resolved Hall conductivity and Chern numbers across varying values of \(\alpha\) , V, and Fermi energy, uncovering regions of non-trivial and trivial topological phases (TTP) and the role of the edge modes. The zero total Nernst coefficient across energy ranges suggests strong cancellation between spin and valley contributions, providing insights into the material’s potential for thermoelectric applications and spintronic devices.