Please use this identifier to cite or link to this item: https://doi.org/10.1103/PhysRevB.85.064105
Title: Systematic study of ferroelectric, interfacial, oxidative, and doping effects on conductance of Pt/BaTiO 3/Pt ferroelectic tunnel junctions
Authors: Shen, L. 
Zhou, T.
Bai, Z.
Zeng, M. 
Goh, J.Q.
Yuan, Z.-M.
Han, G.
Liu, B.
Feng, Y.P. 
Issue Date: 9-Feb-2012
Citation: Shen, L., Zhou, T., Bai, Z., Zeng, M., Goh, J.Q., Yuan, Z.-M., Han, G., Liu, B., Feng, Y.P. (2012-02-09). Systematic study of ferroelectric, interfacial, oxidative, and doping effects on conductance of Pt/BaTiO 3/Pt ferroelectic tunnel junctions. Physical Review B - Condensed Matter and Materials Physics 85 (6) : -. ScholarBank@NUS Repository. https://doi.org/10.1103/PhysRevB.85.064105
Abstract: Using the nonequilibrium Green's function method combined with density functional theory, we systematically study the ferroelectric, interfacial, oxidative, and doping effects on electron transport of BaTiO 3-based ferroelectric tunnel junctions (Pt/BaTiO 3/Pt). The ferroelectric effect reduces the tunneling conductance compared to nonferroelectric BaTiO 3 due to the large decay rate of the Δ5 (p y and d yz) band. The TiO 2-terminated interface shows a better tunneling conductance than the BaO-terminated interface since electrons mainly transport through the Ti 3d-O p bonding state. Interfacial oxidation strongly reduces the conductance due to trapping of electrons and interfacial charge localization by additional O ions, while Nb doping enhances the conductance due to the delocalized distribution of charges on orbitals of the transport channel. Our studies provide a useful guide to practical applications of tunnel junctions with ferroelectric barriers. © 2012 American Physical Society.
Source Title: Physical Review B - Condensed Matter and Materials Physics
URI: http://scholarbank.nus.edu.sg/handle/10635/83145
ISSN: 10980121
DOI: 10.1103/PhysRevB.85.064105
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