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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

2020Materials Today Communications27 citationsDOI

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
First-principles calculations of the structural, electronic, mechanical and thermodynamic properties of MAX phase Mon+1GeCn (n = 1–3) compounds | Litcius