Science · 2018 · 269 citations · 47 references
Natural SciencesMaterials EngineeringMaterials ScienceCondensed Matter PhysicsSolid State PhysicsThin FilmsEpitaxial GrowthFerroelectric MaterialsStrain EngineeringThin Film Electrical PropertiesThin Film StrainThin-film MaterialsEpitaxial StrainEpitaxial Thin FilmsFerroelectric Thin FilmsLattice ConstantsPiezoelectricityPolarization EffectsSpontaneous PolarizationStrain Effects On Ferroelectric Properties
An epitaxial route to strain Strain can have a dramatic effect on the properties of materials. Zhang et al. introduced a large strain in the material PbTiO 3 by growing it epitaxially in a composite with PbO. On the boundaries between the two materials, their normally different lattice constants were matched, giving rise to the strain. As a consequence, the films exhibited a very large electric polarization even in the absence of an electric field. The method may be applicable to generating other functional materials. Scence , this issue p. 494
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Projector augmented-wave method
Peter E. Blöchl · Physical review. B, Condensed matter · 1994 · 90.8K citations
Natural Sciences, Chemistry, Physics +17
Self-Consistent Equations Including Exchange and Correlation Effects
W. Kohn, L. J. Sham · Physical Review · 1965 · 63.2K citations · Full text