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Exploring the electronic, mechanical, anisotropic and optical properties of the Sc-Al-C MAX phases from a first principles calculations

Kun Wang, Xudong Zhang, Feng Wang

2023Chemical Physics Letters55 citationsDOI

Topics & Concepts

AnisotropyShear modulusMaterials scienceMAX phasesEnthalpyBulk modulusThermal expansionBand gapChemical bondLattice constantElectronic structureThermodynamicsChemistryComputational chemistryComposite materialOpticsDiffractionOptoelectronicsCarbideOrganic chemistryPhysicsMXene and MAX Phase MaterialsAdvanced ceramic materials synthesisBoron and Carbon Nanomaterials Research
Exploring the electronic, mechanical, anisotropic and optical properties of the Sc-Al-C MAX phases from a first principles calculations | Litcius