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research article

Berry-phase theory of polar discontinuities at oxide-oxide interfaces

Stengel, Massimiliano
•
Vanderbilt, David
2009
Physical Review B

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.

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Type
research article
DOI
10.1103/PhysRevB.80.241103
Web of Science ID

WOS:000273229200003

Author(s)
Stengel, Massimiliano
Vanderbilt, David
Date Issued

2009

Published in
Physical Review B
Volume

80

Article Number

241103(R)

Subjects

Berry phase

•

density functional theory

•

dielectric polarisation

•

electric fields

•

ferroelectric materials

•

lanthanum compounds

•

strontium compounds

•

superlattices

•

Polarization

Editorial or Peer reviewed

REVIEWED

Written at

EPFL

EPFL units
SB  
Available on Infoscience
November 30, 2010
Use this identifier to reference this record
https://infoscience.epfl.ch/handle/20.500.14299/59512
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