Investigation of the mechanical and transport properties of InGeX<sub>3</sub> (X = S, Se and Te) monolayers using density functional theory and machine learning
Yong-Bo Shi, Yuan-Yuan Chen, Hao Wang, Shuo Cao, Yuan-Xu Zhu, M.-W. Chu, Zhufeng Shao, Haikuan Dong, Ping Qian
Abstract
Recently, novel 2D InGeTe 3 has been successfully synthesized and attracted attention due to its excellent properties.
Topics & Concepts
Density functional theoryMaterials scienceMonolayerThermal conductivityElectron mobilityBoltzmann equationPhononUltimate tensile strengthModulusCondensed matter physicsThermodynamicsComputational chemistryNanotechnologyChemistryComposite materialPhysicsOptoelectronicsMachine Learning in Materials Science2D Materials and ApplicationsAdvanced Thermoelectric Materials and Devices