Uncertainty quantification in first-principles predictions of phonon properties and lattice thermal conductivity
نویسندگان
چکیده
منابع مشابه
Anisotropic intrinsic lattice thermal conductivity of phosphorene from first principles.
Phosphorene, the single layer counterpart of black phosphorus, is a novel two-dimensional semiconductor with high carrier mobility and a large fundamental direct band gap, which has attracted tremendous interest recently. Its potential applications in nano-electronics and thermoelectrics call for fundamental study of the phonon transport. Here, we calculate the intrinsic lattice thermal conduct...
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ژورنال
عنوان ژورنال: Physical Review Materials
سال: 2020
ISSN: 2475-9953
DOI: 10.1103/physrevmaterials.4.083805