First-principles study on the anisotropic transport of electrons and phonons in monolayer and bulk GaTe: a comparative study
Kai-Cheng Zhang, Yongfeng Li, Yong Liu, Yan Zhu
Abstract
at 300 K, in good agreement with the experimental results. The monolayer is found to have smaller mobility but larger anisotropy than those of the bulk. Interestingly, the out-of-plane conductivity is anomalously larger than the in-plane one for the bulk, which is attributed to the orbital overlaps between the interlayer Te atoms. Moreover, n-type GaTe is found to have much larger mobility and anisotropy than the p-type one, which is useful for future applications. Compared with the case of monolayer GaTe, thermoelectric performance can be enhanced by one order of magnitude for the bulk GaTe by exploiting the out-of-plane thermal and electrical conductivities.
Topics & Concepts
MonolayerCondensed matter physicsBoltzmann equationPhononAnisotropyMaterials scienceEffective mass (spring–mass system)van der Waals forceElectron mobilityThermal conductivityThermoelectric effectPhosphoreneElectronChemistryPhysicsNanotechnologyOpticsThermodynamicsOrganic chemistryQuantum mechanicsComposite materialMoleculeAdvanced Thermoelectric Materials and Devices2D Materials and ApplicationsTopological Materials and Phenomena