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Area of Science:

  • Materials Science
  • Condensed Matter Physics
  • Nanotechnology

Background:

  • Two-dimensional graphenelike materials are vital for advanced electronics.
  • Hexagonal boron phosphide (h-BP) possesses a suitable band gap and high carrier mobility.
  • Ultrahigh lattice thermal conductivity (κl) in h-BP offers solutions for thermal management.

Purpose of the Study:

  • To systematically analyze the lattice thermal transport properties of h-BP monolayers at the atomic level.
  • To investigate the influence of tensile strain on the thermal transport properties of h-BP.
  • To understand the mechanisms behind strain-induced changes in thermal conductivity.

Main Methods:

  • First-principles calculations were employed to study h-BP at the atomic level.
  • Phonon group velocity, phonon lifetime, and phonon hydrodynamic effects were analyzed.
  • The impact of varying tensile strain (0-8%) on κl was systematically explored.

Main Results:

  • The intrinsic ultrahigh κl of h-BP is attributed to high phonon group velocity and long phonon lifetime.
  • Tensile strain significantly influences κl, with an initial increase followed by a decrease.
  • A 6% strain boosts κl to 795 W/mK, a 2.22-fold increase, due to enhanced phonon group velocity and reduced Grüneisen parameter.

Conclusions:

  • Tensile strain plays a critical role in modulating the lattice thermal transport of 2D graphenelike materials.
  • The findings highlight the potential of strained h-BP for advanced thermal management applications.
  • This research provides insights for designing materials with tailored thermal properties.