<p>The recent transport measurements of La<sub>3</sub>Ni<sub>2</sub>O<sub>7</sub> uncovered a “right-triangle” shape of the superconducting dome in the pressure-temperature (P-T) phase diagram. Motivated by this, we perform theoretical first-principles studies of La<sub>3</sub>Ni<sub>2</sub>O<sub>7</sub> with the pressure ranging from 0 to 100 GPa. Notably, we reveal a pressure dependence of the <InlineEquation ID="IEq1"> <InlineMediaObject> <ImageObject Color="BlackWhite" FileRef="11433_2024_2583_Article_IEq1.gif" Format="GIF" Height="18" Rendition="HTML" Resolution="72" Type="Linedraw" Width="45" /> </InlineMediaObject> <EquationSource Format="TEX">\(\text{Ni-}d_{\,z^{2}}\)</EquationSource> <EquationSource Format="MATHML"><math display="block"> <mtext>Ni-</mtext> <msub> <mi>d</mi> <mrow> <mspace width="thinmathspace" /> <msup> <mi>z</mi> <mrow> <mn>2</mn> </mrow> </msup> </mrow> </msub> </math></EquationSource> </InlineEquation> electron density at the Fermi energy (<InlineEquation ID="IEq2"> <InlineMediaObject> <ImageObject Color="BlackWhite" FileRef="11433_2024_2583_Article_IEq2.gif" Format="GIF" Height="21" Rendition="HTML" Resolution="72" Type="Linedraw" Width="27" /> </InlineMediaObject> <EquationSource Format="TEX">\(n_{z}^{E_{\rm{F}}}\)</EquationSource> <EquationSource Format="MATHML"><math display="block"> <msubsup> <mi>n</mi> <mrow> <mi>z</mi> </mrow> <mrow> <msub> <mi>E</mi> <mrow> <mrow> <mi mathvariant="normal">F</mi> </mrow> </mrow> </msub> </mrow> </msubsup> </math></EquationSource> </InlineEquation>) that highly coincides with such shape. On this basis, we further explore the electronic structure under uniaxial stress. By tracking the stress response of <InlineEquation ID="IEq3"> <InlineMediaObject> <ImageObject Color="BlackWhite" FileRef="11433_2024_2583_Article_IEq2.gif" Format="GIF" Height="21" Rendition="HTML" Resolution="72" Type="Linedraw" Width="27" /> </InlineMediaObject> <EquationSource Format="TEX">\(n_{z}^{E_{\rm{F}}}\)</EquationSource> <EquationSource Format="MATHML"><math display="block"> <msubsup> <mi>n</mi> <mrow> <mi>z</mi> </mrow> <mrow> <msub> <mi>E</mi> <mrow> <mrow> <mi mathvariant="normal">F</mi> </mrow> </mrow> </msub> </mrow> </msubsup> </math></EquationSource> </InlineEquation>, we propose that superconductivity can be achieved by applying only ⋃2 GPa of compression along the <i>c</i> axis. The idea is further exemplified from the perspectives of lattice distortion, band structure, Fermi surface and superconducting phase coherence. We also discuss the possible charge modulation under the stress and provide an insight into the relation between <InlineEquation ID="IEq4"> <InlineMediaObject> <ImageObject Color="BlackWhite" FileRef="11433_2024_2583_Article_IEq2.gif" Format="GIF" Height="21" Rendition="HTML" Resolution="72" Type="Linedraw" Width="27" /> </InlineMediaObject> <EquationSource Format="TEX">\(n_{z}^{E_{\rm{F}}}\)</EquationSource> <EquationSource Format="MATHML"><math display="block"> <msubsup> <mi>n</mi> <mrow> <mi>z</mi> </mrow> <mrow> <msub> <mi>E</mi> <mrow> <mrow> <mi mathvariant="normal">F</mi> </mrow> </mrow> </msub> </mrow> </msubsup> </math></EquationSource> </InlineEquation> and the superconducting <i>T</i><sub><i>c</i></sub> in La<sub>3</sub>Ni<sub>2</sub>O<sub>7</sub> system. Our study provides new routes to the search of high-<i>T</i><sub><i>c</i></sub> superconductors in future experiments.</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

Modulation of the octahedral structure and potential superconductivity of La3Ni2O7 through strain engineering

  • Zihao Huo,
  • Zhihui Luo,
  • Peng Zhang,
  • Aiqin Yang,
  • Zhengtao Liu,
  • Xiangru Tao,
  • Zihan Zhang,
  • Shumin Guo,
  • Qiwen Jiang,
  • Wenxuan Chen,
  • Dao-Xin Yao,
  • Defang Duan,
  • Tian Cui

摘要

The recent transport measurements of La3Ni2O7 uncovered a “right-triangle” shape of the superconducting dome in the pressure-temperature (P-T) phase diagram. Motivated by this, we perform theoretical first-principles studies of La3Ni2O7 with the pressure ranging from 0 to 100 GPa. Notably, we reveal a pressure dependence of the \(\text{Ni-}d_{\,z^{2}}\) Ni- d z 2 electron density at the Fermi energy ( \(n_{z}^{E_{\rm{F}}}\) n z E F ) that highly coincides with such shape. On this basis, we further explore the electronic structure under uniaxial stress. By tracking the stress response of \(n_{z}^{E_{\rm{F}}}\) n z E F , we propose that superconductivity can be achieved by applying only ⋃2 GPa of compression along the c axis. The idea is further exemplified from the perspectives of lattice distortion, band structure, Fermi surface and superconducting phase coherence. We also discuss the possible charge modulation under the stress and provide an insight into the relation between \(n_{z}^{E_{\rm{F}}}\) n z E F and the superconducting Tc in La3Ni2O7 system. Our study provides new routes to the search of high-Tc superconductors in future experiments.