First-principles calculations: Structural stability, electronic structure, optical properties and thermodynamic properties of AlBN2, Al3BN4 and AlB3N4 nitrides
Bo Li, Huarong Qi, Yonghua Duan, Mingjun Peng
Topics & Concepts
Materials scienceNitrideChemical stabilityPhononElectronic structureDensity functional theoryBand gapElectronic band structureStructural stabilityAtom (system on chip)Stability (learning theory)AnisotropyDensity of statesThermodynamicsCondensed matter physicsComputational chemistryNanotechnologyChemistryPhysicsOpticsOptoelectronicsMachine learningEngineeringStructural engineeringLayer (electronics)Computer scienceEmbedded systemBoron and Carbon Nanomaterials ResearchMXene and MAX Phase MaterialsMetal and Thin Film Mechanics