Significant enhancement of the thermoelectric properties of CaP<sub>3</sub> through reducing the dimensionality
Xue-Liang Zhu, Pengfei Liu, Yiyuan Wu, Ping Zhang, Guofeng Xie, Bao‐Tian Wang
Abstract
Through first-principles calculations and using the Boltzmann transport equation, we explore the thermoelectric (TE) properties of CaP<sub>3</sub> from the three-dimensional (3D) bulk form to a two-dimensional (2D) monolayer and find that the TE properties are greatly enhanced by reducing the dimensionality.
Topics & Concepts
Curse of dimensionalityThermoelectric effectBoltzmann equationMonolayerMaterials scienceBoltzmann constantCondensed matter physicsThermoelectric materialsNanotechnologyPhysicsThermodynamicsMathematicsStatistics2D Materials and ApplicationsAdvanced Thermoelectric Materials and DevicesMXene and MAX Phase Materials