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Paper   IPM / P / 14296
School of Physics
  Title:   Highly anisotropic thermal conductivity of arsenene: An ab initio study
1.  M. Zeraati
2.  S.M. Vaez Allaei,
3.  I. Abdolhosseini Sarsari
4.  M. Pourfath
5.  D. Donadio
  Status:   Published
  Journal: Phys. Rev. B
  Vol.:  93
  Year:  2016
  Pages:   085424
  Supported by:  IPM
Elemental two-dimensional (2D) materials exhibit intriguing heat transport and phononic properties. Here we have investigated the lattice thermal conductivity of newly proposed arsenene, the 2D honeycomb structure of arsenic, using ab initio calculations. Solving the Boltzmann transport equation for phonons, we predict a highly anisotropic thermal conductivity of 30.4 and 7.8 W/mK along the zigzag and armchair directions, respectively, at room temperature. Our calculations reveal that phonons with mean free paths between 20 nm and 1μm provide the main contribution to the large thermal conductivity in the zigzag direction; mean free paths of phonons contributing to heat transport in the armchair directions range between 20 and 100 nm. The obtained anisotropic thermal conductivity and feasibility of synthesis, in addition to high electron mobility reported elsewhere, make arsenene a promising material for nanoelectronic applications and thermal management.

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