Dual role of lone pair electron and rattling vibration in Zintl phase BaCaPb thermoelectric material
Shuwei Tang, Pengfei Zhang, Da Wan, Xiaodong Li, Peng Ai, Zhiwei Zhang, Wanrong Guo, Shulin Bai, Xiuling Qi
Abstract
The synergistic role of lone pair electrons and rattling vibrations in inducing low lattice thermal conductivity and excellent thermoelectric performance in the BaCaPb compound are elucidated with a two-channel model.
Topics & Concepts
Lone pairThermoelectric effectMaterials scienceElectronCondensed matter physicsLattice vibrationThermoelectric materialsPhase (matter)Lattice (music)Thermal conductivityChemistryPhysicsComposite materialThermodynamicsPhononOrganic chemistryMoleculeAcousticsQuantum mechanicsAdvanced Thermoelectric Materials and DevicesThermal properties of materialsThermal Radiation and Cooling Technologies