The thermal transport properties of mantle minerals are of paramount importance to understand the thermal evolution processes of the Earth. Here, we perform extensively structural searches of two-dimensional MgSiOmonolayer by CALYPSO method and first-principles calculations. A stable MgSiOmonolayer with2 symmetry is uncovered, which possesses a wide indirect band gap of 4.39 eV. The calculations indicate the lattice thermal conductivities of MgSiOmonolayer are 49.86 W (mK)and 9.09 W (mK)inanddirections at room temperature. Our findings suggest that MgSiOmonolayer is an excellent low-dimensional thermoelectric material with highvalue of 4.58 from n-type doping in thedirection at 2000 K. The unexpected anisotropic thermal transport of MgSiOmonolayer is due to the puckered crystal structure and the asymmetric phonon dispersion as well as the distinct electron states around the Fermi level. These results offer a detailed description of structural and thermal transport properties of MgSiOmonolayer at extreme conditions.
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