Ultralow lattice thermal conductivity at room temperature in 2D KCuSe from first-principles calculations
Zhiyuan Xu, Cong Wang, Xuming Wu, Lei Hu, Yuqi Liu, Guoying Gao
Abstract
at 300 K without and with 6% tensile strain, respectively), it is still lower than those of most 2D thermoelectric materials. The advantages of being cheap, environmentally friendly and having low lattice thermal conductivity compared to the KAgSe and TlCuSe derivatives make KCuSe a promising candidate for thermoelectric applications, which will stimulate more efforts toward theoretical and experimental studies on this class of 2D ternary semiconductors.
Topics & Concepts
Thermoelectric effectMaterials scienceThermal conductivityPhononCondensed matter physicsThermoelectric materialsAnharmonicityTernary operationLattice (music)Grüneisen parameterThermodynamicsThermal expansionPhysicsComposite materialAcousticsComputer scienceProgramming languageAdvanced Thermoelectric Materials and DevicesThermal properties of materials2D Materials and Applications