Dear Steven and MPB users,
I tried to reproduce the band-diagram results of a famous paper from *M*. *
Notomi* : *Phys*. *Rev*. *B* 62, 10696 (*2000*)
In this paper figure 7(b) shows a band-diagram of hexagonal pillars of GaAs
(n = 3.6) rods of radius 0.35a in air (n = 1).
It was very easy to modify the mpb example tri-rods.ctl to do the same
diagram. I tried but could not match the band diagram as given in the paper
!
Appearance wise both results look very similar on first hand but closer
inspection shows the difference.
In the paper e.g. band 5 goes from frequency value 0.56 to *0.635* (as
explicitly mentioned in explanation of Fig. 6 in the same paper) but in my
calculated values using mpb i get them in the range 0.56 - *0.615* (the
upper frequency value doesn't match).
As far as i know the results of said paper were not calculated using mpb
then is this discrepancy arising because of that ? If so, then how to make
sure which result is more accurate ?
I'm just putting my .ctl file below for all to have a look and suggest if i
made any mistake in setting up .ctl file itself or i'm missing out on
something which may improve my result.
Any help in this will be much appreciated.
;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
(set! num-bands 8)
(set! geometry-lattice (make lattice (size 1 1 no-size)
(basis1 (/ (sqrt 3) 2) 0.5)
(basis2 (/ (sqrt 3) 2) -0.5)))
(set! geometry (list (make cylinder
(center 0 0 0) (radius 0.35) (height infinity)
(material (make dielectric (epsilon 12.96))))))
(set! k-points (list
(vector3 (/ -3) (/ 3) 0) ; K
(vector3 0 0.5 0) ; M
(vector3 0 0 0) ; Gamma
(vector3 (/ -3) (/ 3) 0) ; K
))
(set! k-points (interpolate 4 k-points))
(set! resolution 64)
(run-te)
;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
--
...................................................................
Thanks n Regards,
manish <http://web.iitd.ernet.in/%7Ephz118136/> kumar
India.
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