Designing a new class of excess electron compounds with unique electronic structures and extremely large non-linear optical responses
Xianghui Li, Li Zhang, Xiaoling Zhang, Bi‐Lian Ni, Xin Li, Wei‐Ming Sun
Abstract
New Ca<sup>+</sup>-<bold>1</bold>-M′<sup>−</sup> (M′ = Li, Na, and K) compounds with typical alkalide features and electride-like characteristics have been obtained.
Topics & Concepts
ChemistryClass (philosophy)ElectronElectronic structureCrystallographyComputational chemistryNuclear physicsPhysicsComputer scienceArtificial intelligenceAmmonia Synthesis and Nitrogen ReductionInorganic Chemistry and MaterialsAdvanced Chemical Physics Studies