First-principles study on predicting the crystal structures, mechanical properties and electronic structures of HfCxN1-x
Qingfeng Zeng, Yin Wang, Chang-Hao Yang, Kang Guan, J.‐T. Liu, Qingzhu Deng, Yong Gao
Topics & Concepts
Shear modulusMaterials scienceBulk modulusPoisson's ratioCrystal (programming language)ModulusVickers hardness testElectronic structureCrystal structureCarbon fibersFermi levelThermodynamicsCondensed matter physicsComposite materialCrystallographyPoisson distributionChemistryMicrostructureElectronPhysicsComposite numberQuantum mechanicsStatisticsComputer scienceMathematicsProgramming languageMXene and MAX Phase MaterialsBoron and Carbon Nanomaterials ResearchMetal and Thin Film Mechanics