Ab initio study of the structural, electronic, magnetic, mechanical, optical, and dynamical properties of the rare-earth dihydrides MH2 (M= Yb, Sc, Eu, Y, Lu and Gd)
Fatiha Saidi, Samia Mokhdar, M. Dergal, Ammaria Mahmoudi, Afef Kallekh, Hala H. Abd El‐Gawad
Topics & Concepts
Debye modelMaterials scienceDensity functional theoryLattice constantBulk modulusElectronic structureDuctility (Earth science)AnisotropyBrittlenessElastic modulusCondensed matter physicsThermodynamicsComputational chemistryComposite materialOpticsChemistryDiffractionPhysicsCreepHydrogen Storage and MaterialsSuperconductivity in MgB2 and AlloysNuclear Materials and Properties