Research of cation dependences of structural and elastic properties of metal carbonates series by density functional theory calculations
Yu. N. Zhuravlev, D. V. Korabel’nikov
Topics & Concepts
Bulk modulusMaterials scienceDebye modelDensity functional theoryLattice constantVan der Waals radiusThermodynamicsvan der Waals forceShear modulusElastic modulusCrystallographyCondensed matter physicsComputational chemistryPhysicsChemistryMoleculeDiffractionOpticsComposite materialQuantum mechanicsHigh-pressure geophysics and materialsX-ray Diffraction in CrystallographyCalcium Carbonate Crystallization and Inhibition