Loading...
research article
Berry-phase theory of polar discontinuities at oxide-oxide interfaces
Stengel, Massimiliano
•
Vanderbilt, David
2009
In the framework of the modern theory of polarization, we rigorously establish the microscopic nature of the electric displacement field D. In particular, we show that the longitudinal component of D is preserved at a coherent and insulating interface. To motivate and elucidate our derivation, we use the example of LAO/STO interfaces and superlattices, where the validity of the above conservation law is not immediately obvious. Our results generalize the "locality principle" of constrained-D density-functional theory to the first-principles modeling of charge-mismatched systems.
Type
research article
Web of Science ID
WOS:000273229200003
Authors
Stengel, Massimiliano
•
Vanderbilt, David
Publication date
2009
Published in
Volume
80
Article Number
241103(R)
Peer reviewed
REVIEWED
EPFL units
Available on Infoscience
November 30, 2010
Use this identifier to reference this record