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<p>In this paper, we present strain-tunable electronic transport in two functionalized MXenes, Ti₃C₂O₂ and Sc₃C₂F₂, using a parametric tight-binding Hamiltonian within the Landauer–Büttiker formalism. The electrode self-energies were obtained via the Sancho-Rubio recursive method, which ensures stable numerical behavior of semi-infinite electrodes. Uniaxial tensile/compressive strains were applied in the in-plane and out-of-plane directions, and their effects on the density of states (DOS), transmission, and current-voltage (I-V) response were analyzed. The results indicate that the effects of strain on the Ti<sub>3</sub>C<sub>2</sub>O<sub>2</sub> structure cause a decrease in the band gap, an increase in conductivity, and a sensitivity of current to strain, making it a suitable candidate for pressure sensors. In contrast, Sc<sub>3</sub>C<sub>2</sub>F<sub>2</sub> is resistant to strain, making it a good candidate for reliable flexible electronics.</p>

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Strain-tunable electronic transport in MXenes for sensing and stable electronics

  • 期刊论文

  • 出版模式：

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  • 发表日期：

    2026年2月16日

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  • Omid Soltani,
  • Mohammad Reza Jafari

摘要

In this paper, we present strain-tunable electronic transport in two functionalized MXenes, Ti₃C₂O₂ and Sc₃C₂F₂, using a parametric tight-binding Hamiltonian within the Landauer–Büttiker formalism. The electrode self-energies were obtained via the Sancho-Rubio recursive method, which ensures stable numerical behavior of semi-infinite electrodes. Uniaxial tensile/compressive strains were applied in the in-plane and out-of-plane directions, and their effects on the density of states (DOS), transmission, and current-voltage (I-V) response were analyzed. The results indicate that the effects of strain on the Ti3C2O2 structure cause a decrease in the band gap, an increase in conductivity, and a sensitivity of current to strain, making it a suitable candidate for pressure sensors. In contrast, Sc3C2F2 is resistant to strain, making it a good candidate for reliable flexible electronics.