Short-circuit boundary conditions in ferroelectricPbTiO3thin films
نویسندگان
چکیده
منابع مشابه
Short-circuit boundary conditions in ferroelectric PbTiO3 thin films
We examine the application of short-circuit electrical boundary conditions in density-functional theory calculations of ferroelectric thin films. Modeling PbTiO3 films with metallic electrodes, we demonstrate that under periodic boundary conditions of supercells, short-circuit conditions for the electrodes are equivalently satisfied in two repeated slab geometries: a PbTiO3/metal superlattice g...
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ژورنال
عنوان ژورنال: Physical Review B
سال: 2006
ISSN: 1098-0121,1550-235X
DOI: 10.1103/physrevb.74.054112