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<p>Long-range higher-order multipolar electron–phonon (<i>e-ph</i>) interactions beyond the dipole-like Fröhlich interactions have long been neglected in the description of various physical properties. Here we demonstrate the contribution from quadrupole effect to the electric and thermal transport properties of monolayer MSi<sub>2</sub>N<sub>4</sub> (M = Mo/W) systems. The quadrupole effect reduces the electron and hole mobilities at 300 K by 25.4%, 12.8% for MoSi<sub>2</sub>N<sub>4</sub>, and by 19.2%, 52.3% for WSi<sub>2</sub>N<sub>4</sub>, respectively. For n- and p-type monolayers with modest dopings by fixing the carrier concentration to 1.0 × 10<sup>14</sup> cm<sup>−2</sup>, the dipole-like <i>e-ph</i> interaction decreases the three-phonon-limited lattice thermal conductivities <i>κ</i><sub><i>l</i></sub> by 17.9% and 43.5% for monolayer MoSi<sub>2</sub>N<sub>4</sub> and WSi<sub>2</sub>N<sub>4</sub>, respectively. However, further considerations of quadrupole <i>e-ph</i> interaction shrink such reductions of three-phonon-limited <i>κ</i><sub><i>l</i></sub> to only 3.6% and 2.4%, respectively due to the cancellation effects. Our results highlight the potential of MSi<sub>2</sub>N<sub>4</sub> monolayers as promising candidates for advanced micro-electronic applications.</p>

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Enhanced long-range quadrupole effects in 2D MSi2N4: impacts on electric and thermal transport

  • 期刊论文

  • 出版模式：

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  • 发表日期：

    2025年6月3日

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  • Juan Zhang,
  • Jiayi Gong,
  • Hongyu Chen,
  • Lei Peng,
  • Hezhu Shao,
  • Yan Cen,
  • Jun Zhuang,
  • Heyuan Zhu,
  • Jinjian Zhou,
  • Hao Zhang

摘要

Long-range higher-order multipolar electron–phonon (e-ph) interactions beyond the dipole-like Fröhlich interactions have long been neglected in the description of various physical properties. Here we demonstrate the contribution from quadrupole effect to the electric and thermal transport properties of monolayer MSi2N4 (M = Mo/W) systems. The quadrupole effect reduces the electron and hole mobilities at 300 K by 25.4%, 12.8% for MoSi2N4, and by 19.2%, 52.3% for WSi2N4, respectively. For n- and p-type monolayers with modest dopings by fixing the carrier concentration to 1.0 × 1014 cm−2, the dipole-like e-ph interaction decreases the three-phonon-limited lattice thermal conductivities κl by 17.9% and 43.5% for monolayer MoSi2N4 and WSi2N4, respectively. However, further considerations of quadrupole e-ph interaction shrink such reductions of three-phonon-limited κl to only 3.6% and 2.4%, respectively due to the cancellation effects. Our results highlight the potential of MSi2N4 monolayers as promising candidates for advanced micro-electronic applications.