First-principles calculations of the structural, electronic, mechanical and thermodynamic properties of MAX phase Mon+1GeCn (n = 1–3) compounds
Hanane Mebtouche, O. Baraka, A. Yakoubi, R. Khenata, Sofia Tahir, R. Ahmed, S. H. Naqib, A. Bouhemadou, S. Bin Omran, Xiaotian Wang
Topics & Concepts
Materials scienceDebye modelMAX phasesBulk modulusThermodynamicsShear modulusThermal expansionDensity functional theoryDensity of statesElectronic structureLattice constantFermi levelHeat capacityAnisotropyCeramicCondensed matter physicsComputational chemistryElectronComposite materialChemistryOpticsDiffractionPhysicsQuantum mechanicsMXene and MAX Phase MaterialsBoron and Carbon Nanomaterials ResearchAluminum Alloys Composites Properties