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Emergence of Negative Capacitance in Multidomain Ferroelectric–Paraelectric Nanocapacitors at Finite Bias

The emergence of negative capacitance in an ultrathin ferroelectric/paraelectric bilayer capacitor under electrical bias is examined using first-principles simulation. An antiferroelectric-like behavior is predicted, and negative capacitance is shown to emerge when the monodomain state becomes stable after bias application. The polydomain-monodomain transition is also shown to be a source of capacitance enhancement.