Abstract:Although tin monoxide (SnO) is an interesting compound due to its p-type conductivity, a widespread application of SnO has been limited by its narrow band gap of 0.7 eV. In this work, we theoretically investigate the structural and electronic properties of several SnO phases under high pressure through employing van der Waals (vdW) functionals. Our calculations reveal that a metastable SnO (A-SnO), which possesses space group P21/c and a wide band gap of 1.9 eV, is more stable than l-SnO at pressures higher th… Show more
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