A DFT insight into structural, mechanical, elasto-acoustic, and anisotropic properties of AePdH3 (Ae = Ca, Sr, Ba) perovskites under pressure
M.A.H. Shah, M. Nuruzzaman, A. Hossain, Md Jubair, M.A.K. Zilani
Topics & Concepts
IsotropyAnisotropyMaterials scienceDebye modelDensity functional theoryElastic modulusCondensed matter physicsStiffnessThermodynamicsPoisson's ratioComposite materialComputational chemistryChemistryPoisson distributionPhysicsOpticsStatisticsMathematicsHydrogen Storage and MaterialsNuclear Materials and PropertiesThermal Expansion and Ionic Conductivity