Investigations of the stability and electronic structures of U3Si2-Al: A first-principles study
Xinyu Chen, Yanqing Qin, Diwei Shi, Yaolin Guo, Jiexi Song, Moran Bu, Yiming Zhang, Qing Huang, Guoquan Liu, Zhifang Chai, Shiyu Du
Topics & Concepts
ChemistryCovalent bondElectronic structureChemical bondElectron localization functionChemical physicsDopingChemical stabilityMetallic bondingCharge (physics)Work (physics)Computational chemistryCharge densityWork functionAluminiumStability (learning theory)MetalElectronCondensed matter physicsThermodynamicsQuantum mechanicsPhysicsOrganic chemistryComputer scienceMachine learningRare-earth and actinide compoundsNuclear Materials and PropertiesIntermetallics and Advanced Alloy Properties