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Strain engineering is a very effective method to continuously tune theelectronic, topological, optical and thermoelectric properties of materials. Inthis work, strain-dependent phonon transport of recently-fabricated antimonene(Sb monolayer) under biaxial strain is investigated from a combination offirst-principles calculations and the linearized phonon Boltzmann equation. Itis found that the ZA dispersion of antimonene with strain less than -1\% givesimaginary frequencies, which suggests that compressive strain can inducestructural instability. Experimentally, it is possible to enhance structuralstability by tensile strain. Calculated results show that lattice thermalconductivity increases with strain changing from -1\% to 6\%, and latticethermal conductivity at 6\% strain is 5.6 times larger than that at -1\% strainat room temperature. It is interesting that lattice thermal conductivity is ininverse proportion to buckling parameter $h$ in considered strain range. Such astrain dependence of lattice thermal conductivity is attributed to enhancedphonon lifetimes caused by increased strain, while group velocities have adecreased effect on lattice thermal conductivity with increasing strain. It isfound that acoustic branches dominate the lattice thermal conductivity over thefull strain range. The cumulative room-temperature lattice thermal conductivityat -1\% strain converges to maximum with phonon mean free path (MFP) at 50 nm,while one at 6\% strain becomes as large as 44 $\mathrm{\mu m}$, which suggeststhat strain can give rise to very strong size effects on lattice thermalconductivity in antimonene. These results may provide guidance on fabricationtechniques of antimonene, and offer perspectives on tuning lattice thermalconductivity by size and strain for applications of thermal management andthermoelectricity.

Strain effects on phonon transport in antimonene from a first-principles study