Journal
PHYSICAL REVIEW B
Volume 80, Issue 24, Pages -Publisher
AMER PHYSICAL SOC
DOI: 10.1103/PhysRevB.80.241103
Keywords
Berry phase; density functional theory; dielectric polarisation; electric fields; ferroelectric materials; lanthanum compounds; strontium compounds; superlattices
Funding
- ONR [N00014-05-10054]
Ask authors/readers for more resources
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.
Authors
I am an author on this paper
Click your name to claim this paper and add it to your profile.
Reviews
Recommended
No Data Available