First-principles investigation of carbon substitution for lead in ferroelectric lead titanate

Abstract

Lead titanate, a room-temperature ferroelectric, dielectric material, is of great interest for technological applications. Defects play an important role upon its properties, such as remnant polarization, motion of domain walls, dielectric constant and leakage current, and organic species present during growth make carbon a key impurity. This paper presents a first principles study of the structural and electronic properties of carbon substituting for lead in tetragonal lead titanate. Highly characteristic vibrational modes are predicted to provide a route to experimental identification.

Estimation of steady-state leakage current in polycrystalline PZT thin films

“…The nature of these processes calls for further investigations (oxygen vacancies moving, traps filling, electric charge hopping, interfacial polarization, etc.). 6,11,12,15,[23][24][25][26][27] In conclusion, we consider estimation of the steady-state ("true") leakage current in polycrystalline PZT thin films using the voltage-step technique by CvS and Σexp models. The Σexp model provides good accuracy of the steady-state leakage current J s determination at reduced measurement time that is important to avoid film degradation.…”