%0 Journal Article %1 li:2018:resonant %A Li, M. %A Tao, L. L. %A Velev, J. P. %A Tsymbal, E. Y. %D 2018 %I American Physical Society %J Phys. Rev. B %K BaTiO3 DFT charged_domain_walls domain_walls theory %N 15 %P 155121 %R 10.1103/PhysRevB.97.155121 %T Resonant tunneling across a ferroelectric domain wall %U https://link.aps.org/doi/10.1103/PhysRevB.97.155121 %V 97 %X Motivated by recent experimental observations, we explore electron transport properties of a ferroelectric tunnel junction (FTJ) with an embedded head-to-head ferroelectric domain wall, using first-principles density-functional theory calculations. We consider a FTJ with La0.5Sr0.5MnO3 electrodes separated by a BaTiO3 barrier layer and show that an in-plane charged domain wall in the ferroelectric BaTiO3 can be induced by polar interfaces. The resulting V-shaped electrostatic potential profile across the BaTiO3 layer creates a quantum well and leads to the formation of a two-dimensional electron gas, which stabilizes the domain wall. The confined electronic states in the barrier are responsible for resonant tunneling as is evident from our quantum-transport calculations. We find that the resonant tunneling is an orbital selective process, which leads to sharp spikes in the momentum- and energy-resolved transmission spectra. Our results indicate that domain walls embedded in FTJs can be used to control the electron transport.

@article{li:2018:resonant, abstract = {Motivated by recent experimental observations, we explore electron transport properties of a ferroelectric tunnel junction (FTJ) with an embedded head-to-head ferroelectric domain wall, using first-principles density-functional theory calculations. We consider a FTJ with La0.5Sr0.5MnO3 electrodes separated by a BaTiO3 barrier layer and show that an in-plane charged domain wall in the ferroelectric BaTiO3 can be induced by polar interfaces. The resulting V-shaped electrostatic potential profile across the BaTiO3 layer creates a quantum well and leads to the formation of a two-dimensional electron gas, which stabilizes the domain wall. The confined electronic states in the barrier are responsible for resonant tunneling as is evident from our quantum-transport calculations. We find that the resonant tunneling is an orbital selective process, which leads to sharp spikes in the momentum- and energy-resolved transmission spectra. Our results indicate that domain walls embedded in FTJs can be used to control the electron transport.}, added-at = {2021-03-03T08:10:11.000+0100}, author = {Li, M. and Tao, L. L. and Velev, J. P. and Tsymbal, E. Y.}, biburl = {https://www.bibsonomy.org/bibtex/261c6821ebc6264174a5932ee66a789cc/skoerbel}, doi = {10.1103/PhysRevB.97.155121}, interhash = {da1ee5e7b2e98f3146194ed694867cfd}, intrahash = {61c6821ebc6264174a5932ee66a789cc}, journal = {Phys. Rev. B}, keywords = {BaTiO3 DFT charged_domain_walls domain_walls theory}, month = apr, number = 15, numpages = {7}, pages = 155121, publisher = {American Physical Society}, timestamp = {2021-03-03T08:10:11.000+0100}, title = {Resonant tunneling across a ferroelectric domain wall}, url = {https://link.aps.org/doi/10.1103/PhysRevB.97.155121}, volume = 97, year = 2018 }