Structural, elastic, electronic, thermal, and phononic properties of yttrium carbide: First-principles calculations
Amir Aliakbari, Peiman Amiri
Topics & Concepts
Materials scienceLocal-density approximationPhase diagramPhononDensity functional theoryAmbient pressureThermodynamicsPhase (matter)Condensed matter physicsYttriumEnthalpyComputational chemistryChemistryPhysicsOxideOrganic chemistryMetallurgyBoron and Carbon Nanomaterials ResearchSuperconductivity in MgB2 and AlloysMXene and MAX Phase Materials