Scholarlink

<p>Following the successful prediction of the superconducting phase diagram for infinite-layer nickelates, here we calculate the superconducting <i>T</i><sub>c</sub> vs. the number of layers <i>n</i> for finite-layer nickelates using the dynamical vertex approximation. To this end, we start with density functional theory, and include local correlations non-perturbatively by dynamical mean-field theory for <i>n</i> = 2–7. For all <i>n</i>, the Ni <InlineEquation ID="IEq1"> <InlineMediaObject> <ImageObject Color="BlackWhite" FileRef="41535_2025_786_Article_IEq1.gif" Format="GIF" Height="20" Rendition="HTML" Resolution="72" Type="Linedraw" Width="43" /> </InlineMediaObject> <EquationSource Format="TEX">\({d}_{{x}^{2}-{y}^{2}}\)</EquationSource> <EquationSource Format="MATHML"><math> <msub> <mrow> <mi>d</mi> </mrow> <mrow> <msup> <mrow> <mi>x</mi> </mrow> <mrow> <mn>2</mn> </mrow> </msup> <mo>−</mo> <msup> <mrow> <mi>y</mi> </mrow> <mrow> <mn>2</mn> </mrow> </msup> </mrow> </msub> </math></EquationSource> </InlineEquation> orbital crosses the Fermi level, but for <i>n</i> &gt; 4 there are additional (<i>π</i>, <i>π</i>) pockets or tubes that slightly enhance the layer-averaged hole doping of the <InlineEquation ID="IEq2"> <InlineMediaObject> <ImageObject Color="BlackWhite" FileRef="41535_2025_786_Article_IEq1.gif" Format="GIF" Height="20" Rendition="HTML" Resolution="72" Type="Linedraw" Width="43" /> </InlineMediaObject> <EquationSource Format="TEX">\({d}_{{x}^{2}-{y}^{2}}\)</EquationSource> <EquationSource Format="MATHML"><math> <msub> <mrow> <mi>d</mi> </mrow> <mrow> <msup> <mrow> <mi>x</mi> </mrow> <mrow> <mn>2</mn> </mrow> </msup> <mo>−</mo> <msup> <mrow> <mi>y</mi> </mrow> <mrow> <mn>2</mn> </mrow> </msup> </mrow> </msub> </math></EquationSource> </InlineEquation> orbitals beyond the leading 1/<i>n</i> contribution stemming from the valence electron count. We finally calculate <i>T</i><sub>c</sub> for the single-orbital <InlineEquation ID="IEq3"> <InlineMediaObject> <ImageObject Color="BlackWhite" FileRef="41535_2025_786_Article_IEq1.gif" Format="GIF" Height="20" Rendition="HTML" Resolution="72" Type="Linedraw" Width="43" /> </InlineMediaObject> <EquationSource Format="TEX">\({d}_{{x}^{2}-{y}^{2}}\)</EquationSource> <EquationSource Format="MATHML"><math> <msub> <mrow> <mi>d</mi> </mrow> <mrow> <msup> <mrow> <mi>x</mi> </mrow> <mrow> <mn>2</mn> </mrow> </msup> <mo>−</mo> <msup> <mrow> <mi>y</mi> </mrow> <mrow> <mn>2</mn> </mrow> </msup> </mrow> </msub> </math></EquationSource> </InlineEquation> Hubbard model by dynamical vertex approximation.</p>

错误：搜索内容不能为空，请输入英文关键词
错误：关键词超出字数限制，请精简
高级检索

Superconducting phase diagram of finite-layer nickelates Ndn+1NinO2n+2

  • 期刊论文

  • 出版模式：

    开放获取

  • 发表日期：

    2025年7月1日

查看全文
  • Andreas Hausoel,
  • Simone Di Cataldo,
  • Motoharu Kitatani,
  • Oleg Janson,
  • Karsten Held

摘要

Following the successful prediction of the superconducting phase diagram for infinite-layer nickelates, here we calculate the superconducting Tc vs. the number of layers n for finite-layer nickelates using the dynamical vertex approximation. To this end, we start with density functional theory, and include local correlations non-perturbatively by dynamical mean-field theory for n = 2–7. For all n, the Ni \({d}_{{x}^{2}-{y}^{2}}\) d x 2 − y 2 orbital crosses the Fermi level, but for n > 4 there are additional (π, π) pockets or tubes that slightly enhance the layer-averaged hole doping of the \({d}_{{x}^{2}-{y}^{2}}\) d x 2 − y 2 orbitals beyond the leading 1/n contribution stemming from the valence electron count. We finally calculate Tc for the single-orbital \({d}_{{x}^{2}-{y}^{2}}\) d x 2 − y 2 Hubbard model by dynamical vertex approximation.