Issue |
EPL
Volume 98, Number 2, April 2012
|
|
---|---|---|
Article Number | 27007 | |
Number of page(s) | 5 | |
Section | Condensed Matter: Electronic Structure, Electrical, Magnetic and Optical Properties | |
DOI | https://doi.org/10.1209/0295-5075/98/27007 | |
Published online | 30 April 2012 |
Role of the electronegativity for the interface properties of non-polar heterostructures
KAUST, Physical Science & Engineering Division - Thuwal 23955-6900, Kingdom of Saudi Arabia
a
udo.schwingenschlogl@kaust.edu.sa
Received:
13
February
2012
Accepted:
26
March
2012
Density functional theory is used to investigate the interfaces in the non-polar ATiO3/SrTiO3 (A=Pb, Ca, Ba) heterostructures. All TiO2-terminated interfaces show an insulating behavior. By reduction of the O content in the AO, SrO, and TiO2 layers, metallic interface states develop, due to the occupation of the Ti 3d orbitals. For PbTiO3/SrTiO3, the Pb 6p states cross the Fermi energy. O vacancy formation energies depend strictly on the electronegativity and the effective volume of the A ion, while the main characteristics of the interface electronic states are maintained.
PACS: 73.20.-r – Electron states at surfaces and interfaces
© EPLA, 2012
Current usage metrics show cumulative count of Article Views (full-text article views including HTML views, PDF and ePub downloads, according to the available data) and Abstracts Views on Vision4Press platform.
Data correspond to usage on the plateform after 2015. The current usage metrics is available 48-96 hours after online publication and is updated daily on week days.
Initial download of the metrics may take a while.