CrystEngComm · 2014 · 110 citations · 45 references
Natural SciencesMaterials SciencePhysicsComputational Materials ScienceCrystal StructureMaterials ChemistryAnisotropic MaterialsDensity Functional TheoryElasticity TheoryElectronic Structure Of SolidsMaterial ModelingStructure DeterminationAnisotropic ElasticityAnisotropy Of Elastic PropertiesAuxetic StructuresCrystal Structure-property RelationshipsCrystalline StructureElastic AnisotropyElastic ConstantsQuantum Mechanical Model
We use density functional theory to reveal the detailed elastic properties of two topical ZIF materials comprising the same chemical composition but different crystalline structures. ZIF-4 was found to exhibit a negative Poisson's ratio, representing the first ‘auxetic-ZIF’ to be identified.
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