First principles calculation of polarization induced interfacial charges in GaN/AlN heterostructures

Details First principles calculation of polarization induced interfacial charges in GaN/AlN heterostructures First principles calculation of polarization induced interfacial charges in GaN/AlN heterostructures

2011-04-21

arxiv.org/abs/1104.4149v2

Apl. Phys. Lett. 98, 232114 (2011)

Physics

Condensed Matter

Materials Science

3 pages, 2 figures; submitted to Applied Physics Letters

Scientific paper

10.1063/1.3598399

We propose a new method to calculate polarization induced interfacial charges in semiconductor heterostructures using classical electrostatics applied to real-space band diagrams from first principles calculations and apply it to GaN/AlN heterostructures with ultrathin AlN layers (4-6 monolayers). We show that the calculated electric fields and interfacial charges are independent of the exchange-correlation functionals used (local-density approximation and hybrid functionals). We also find the calculated interfacial charge of (6.8 +/- 0.4) x 10^13 cm-2 to be in excellent agreement with experiments and the value of 6.58 x 10^13 cm-2 calculated from bulk polarization constants, validating the use of bulk constants even for very thin films.

Affiliated with

Also associated with

No associations

Rating

First principles calculation of polarization induced interfacial charges in GaN/AlN heterostructures does not yet have a rating. At this time, there are no reviews or comments for this scientific paper.

If you have personal experience with First principles calculation of polarization induced interfacial charges in GaN/AlN heterostructures, we encourage you to share that experience with our LandOfFree.com community. Your opinion is very important and First principles calculation of polarization induced interfacial charges in GaN/AlN heterostructures will most certainly appreciate the feedback.

Rate now

Comments { 0 }

Profile ID: LFWR-SCP-O-177655