Publication | Closed Access
Antibonding induced anharmonicity leading to ultralow lattice thermal conductivity and extraordinary thermoelectric performance in CsK<sub>2</sub>X (X = Sb, Bi)
38
Citations
50
References
2022
Year
Csk 2EngineeringPhonon Transport PropertiesThermoelectricsThermal ConductivityPhysic Aware Machine LearningSuperconductivityQuantum MaterialsThermodynamicsThermal ConductionMaterials SciencePhysicsHigher-order Phonon InteractionsThermal TransportExtraordinary Thermoelectric PerformanceCondensed Matter PhysicsApplied PhysicsPhononThermoelectric MaterialTheoretical PredictionThermal PropertyThermal Properties
A first principles-based machine learning potential is developed to model the phonon transport properties in full Heusler CsK 2 Sb and CsK 2 Bi taking account of all higher-order phonon interactions.
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