Electronic, mechanical and thermodynamic properties of ZrC, HfC and their solid solutions studied by first-principles calculation
Yongliang Guo, Juncai Chen, Wei Song, Shimin Shan, Xuezhi Ke, Zhaoyong Jiao
Topics & Concepts
Solid solutionMaterials scienceAtom (system on chip)MetalPhononElastic modulusElectronic structureThermodynamicsModuliChemical stabilityTransition metalHafniumPhysical chemistryComputational chemistryChemistryComposite materialMetallurgyCondensed matter physicsZirconiumOrganic chemistryPhysicsCatalysisEmbedded systemQuantum mechanicsComputer scienceMXene and MAX Phase MaterialsAdvanced ceramic materials synthesisBoron and Carbon Nanomaterials Research