The short answer is: It should be a fully-relaxed structure of GaN
(wurtzite).
A longer answer is: One should think on how the polarization will
manifest itself in experimental situation and select two structures
(lambda_0) and (lambda_1) accordingly. If you are interested in
group-III/N LED, the buffer is GaN (lambda_0). The quantum well is a
(In,Ga)N solid solution (lambda_1), which is epitaxially strained on
GaN. A difference in polarization between two structures will lead to an
electric field withing the quantum well. So, in this case, it will be
incorrect to ask a question: What is the spontaneous polarization of
GaN? or What is the polarization of (In,Ga)N? What matters is the
difference only.
I hope this will help.
Oleg
--
Oleg Rubel (PhD, PEng)
Department of Materials Science and Engineering
McMaster University
JHE 359, 1280 Main Street West, Hamilton, Ontario L8S 4L8, Canada
Email: rub...@mcmaster.ca
Tel: +1-905-525-9140, ext. 24094
Web: http://olegrubel.mcmaster.ca
On 2018-Jun-09 03:24, Harzellaoui Abdelkader wrote:
hello
I tried Berrypi's accompanying code and exactly the GaN tutorial4. my
question is how to create the GaN_W structure. because I see that it is
important if I want to calculate the polarization or phase of another
structure. Thank you
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