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Bulk gallium oxide (Ga2O3) has been widely used in lasers, dielectriccoatings for solar cells, deep-ultraviolet transistor applications due to thelarge band gap over 4.5 eV. With the miniaturization of electronic devices,atomically thin Ga2O3 monolayer has been unveiled recently, which features anasymmetric configuration with a quintuple-layer atomic structure. The superiorstability, the strain-tunable electronic properties, high carrier mobility andoptical absorption indicate the promising applications in the electronic andphotoelectronic devices. However, the strict investigation of lattice thermalconductivity (kappa_L) of 2D Ga2O3 is still lacking, which has impeded thewidespread use in practical applications. Here, we report the computationaldiscovery of low kappa_L with a value of 10.28 W m-1 K-1 at 300 K in atomicallythin Ga2O3. Unexpectedly, two quasi-acoustic shear phonon modes contribute ashigh as 27% to the kappa_L at 300 K, leading to 37% contribution of opticalphonon modes, much larger than many other 2D materials. We also find that thequasi-acoustic shear mode can emerge in the system without van der Waalsinteractions. This work provides new insight into the nature of thermaltransport in non-van der Waals monolayer materials and predicts a new lowkappa_L material of potential interest for thermal insulation in transistorapplications.

Large Contribution of Quasi-Acoustic Shear Phonon Modes to Thermal Conductivity in Novel Monolayer Ga2O3