Large Out-of-plane component in 2D air-hole lattice

Max Kellermeier <[email protected]> Thu, 24 Aug 2017 11:16:41 +0000
Newsgroups gmane.comp.science.photonic-bands
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Hello everyone,

I am a Master student working on photonic band gap structures for particle =
acceleration in my master project.

Currently, I try to reproduce the results by Lin [1] who studied the band s=
tructure of an air hole trigonal lattice in fused silica for varied out-of-=
plane component of the wavevector.

First I tried to simply compute the bands with MPB at such a kz value. But =
the first bands have much lower frequencies than the frequency range invest=
igated by Lin. So I used
(set! target-freq ..)
to change the freq. range of interest. But the iteration always fails due t=
o more than 10000 steps. (which appears a liitle bit too much to me)
Of course I raised the resolution a few times. But still the results don=92=
t show the band gaps around fa/c=3Dkz. I also increased the tolerance to ma=
ke sure the iteration limit of 10000 is not reached, although the result ma=
y be misleading as the tolerance should be lowered to resolve the bands.

Lin also mentioned the number of plane waves he used for the computation. I=
 am not sure how the number of plane waves is set in MPB resp. where the Fo=
urier series is truncated in terms of reciprocal lattice vectors. I guess i=
t somehow depends on the discretization of the unit cell, doesn=92t it?

The bands at such a frequency are very thin. So probably I might have to se=
t num-bands quite large, but for a base line even with few bands I should g=
et the band gap at kz=3D8.2.

Thank you very much!

Best regards,
Max


[1] Lin, Xintian Eddie. "Photonic band gap fiber accelerator." Physical Rev=
iew Special Topics-Accelerators and Beams 4.5 (2001): 051301.

PS: This is what one of the configurations I used so far. I also raised the=
 resolution to 128, changed the number of bands computed, the tolerance.

(set-param! num-bands 10)
(set-param! tolerance 1e-7) ; defaults

(define-param RADIUS 0.35)
(define-param EPSILON 2.13) ; Glass at optical Freq.
(define-param K_Z_MIN 6.0)  ; Out-of-plane component
(define-param K_Z_MAX 10.0)  ; Out-of-plane component
(define-param K_Z_NUM 20)

(define Glass (make dielectric (epsilon EPSILON)))
(set! default-material Glass)
(set! geometry-lattice (make lattice (size lattice-constant lattice-constan=
t no-size)
                         (basis1 (/ (sqrt 3) 2) 0.5)
                         (basis2 (/ (sqrt 3) 2) -0.5)))
(set! geometry (list (make cylinder
                       (center 0 0 0)
                       (radius RADIUS)
                       (height infinity)
                       (material air)
                       )))
(set-param! resolution 64)

(define (run-different-kz current_kz kmax dkz)
  (if (<=3D current_kz kmax)
    (begin
      (set! target-freq current_kz)
      (set! k-points (list (vector3 0 0 current_kz)          ; Gamma
                           (vector3 0 0.5 current_kz )        ; M
                           (vector3 (/ -3) (/ 3) current_kz) ; K
                           (vector3 0 0 current_kz)))        ; Gamma
      (set! k-points (interpolate 9 k-points))
      (run display-zparities display-yparities)
      (run-different-kz (+ current_kz dkz) kmax dkz)
    )
  )
)
(run-different-kz K_Z_MIN K_Z_MAX (/ (- K_Z_MAX K_Z_MIN) K_Z_NUM ))

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<p class=3D"MsoNormal">Hello everyone,</p>
<p class=3D"MsoNormal"><o:p>&nbsp;</o:p></p>
<p class=3D"MsoNormal">I am a Master student working on photonic band gap s=
tructures for particle acceleration in my master project.</p>
<p class=3D"MsoNormal"><o:p>&nbsp;</o:p></p>
<p class=3D"MsoNormal">Currently, I try to reproduce the results by Lin [1]=
 who studied the band structure of an air hole trigonal lattice in fused si=
lica for varied out-of-plane component of the wavevector.</p>
<p class=3D"MsoNormal"><o:p>&nbsp;</o:p></p>
<p class=3D"MsoNormal">First I tried to simply compute the bands with MPB a=
t such a kz value. But the first bands have much lower frequencies than the=
 frequency range investigated by Lin. So I used</p>
<p class=3D"MsoNormal" style=3D"mso-margin-top-alt:12.0pt;margin-right:0in;=
margin-bottom:12.0pt;margin-left:0in;text-indent:.5in">
<span style=3D"font-family:&quot;Source Code Pro&quot;">(set! target-freq .=
.)<o:p></o:p></span></p>
<p class=3D"MsoNormal">to change the freq. range of interest. But the itera=
tion always fails due to more than 10000 steps. (which appears a liitle bit=
 too much to me)</p>
<p class=3D"MsoNormal">Of course I raised the resolution a few times. But s=
till the results don=92t show the band gaps around fa/c=3Dk<sub>z</sub>. I =
also increased the tolerance to make sure the iteration limit of 10000 is n=
ot reached, although the result may be
 misleading as the tolerance should be lowered to resolve the bands.</p>
<p class=3D"MsoNormal"><o:p>&nbsp;</o:p></p>
<p class=3D"MsoNormal">Lin also mentioned the number of plane waves he used=
 for the computation. I am not sure how the number of plane waves is set in=
 MPB resp. where the Fourier series is truncated in terms of reciprocal lat=
tice vectors. I guess it somehow depends
 on the discretization of the unit cell, doesn=92t it?</p>
<p class=3D"MsoNormal"><o:p>&nbsp;</o:p></p>
<p class=3D"MsoNormal">The bands at such a frequency are very thin. So prob=
ably I might have to set
<i>num-bands </i>quite large, but for a base line even with few bands I sho=
uld get the band gap at k<sub>z</sub>=3D8.2.</p>
<p class=3D"MsoNormal"><o:p>&nbsp;</o:p></p>
<p class=3D"MsoNormal">Thank you very much!</p>
<p class=3D"MsoNormal"><o:p>&nbsp;</o:p></p>
<p class=3D"MsoNormal">Best regards,</p>
<p class=3D"MsoNormal">Max</p>
<p class=3D"MsoNormal"><o:p>&nbsp;</o:p></p>
<p class=3D"MsoNormal"><o:p>&nbsp;</o:p></p>
<p class=3D"MsoNormal">[1] <span style=3D"font-size:10.0pt;font-family:&quo=
t;Arial&quot;,sans-serif;color:#222222">
Lin, Xintian Eddie. &quot;Photonic band gap fiber accelerator.&quot; <i>Phy=
sical Review Special Topics-Accelerators and Beams</i> 4.5 (2001): 051301.<=
/span></p>
<p class=3D"MsoNormal"><o:p>&nbsp;</o:p></p>
<p class=3D"MsoNormal">PS: This is what one of the configurations I used so=
 far. I also raised the resolution to 128, changed the number of bands comp=
uted, the tolerance.</p>
<p class=3D"MsoNormal"><span style=3D"font-size:10.0pt;font-family:&quot;So=
urce Code Pro&quot;"><o:p>&nbsp;</o:p></span></p>
<p class=3D"MsoNormal"><span style=3D"font-size:10.0pt;font-family:&quot;So=
urce Code Pro&quot;">(set-param! num-bands 10)<o:p></o:p></span></p>
<p class=3D"MsoNormal"><span style=3D"font-size:10.0pt;font-family:&quot;So=
urce Code Pro&quot;">(set-param! tolerance 1e-7) ; defaults<o:p></o:p></spa=
n></p>
<p class=3D"MsoNormal"><span style=3D"font-size:10.0pt;font-family:&quot;So=
urce Code Pro&quot;"><o:p>&nbsp;</o:p></span></p>
<p class=3D"MsoNormal"><span style=3D"font-size:10.0pt;font-family:&quot;So=
urce Code Pro&quot;">(define-param RADIUS 0.35)<o:p></o:p></span></p>
<p class=3D"MsoNormal"><span style=3D"font-size:10.0pt;font-family:&quot;So=
urce Code Pro&quot;">(define-param EPSILON 2.13) ; Glass at optical Freq.<o=
:p></o:p></span></p>
<p class=3D"MsoNormal"><span style=3D"font-size:10.0pt;font-family:&quot;So=
urce Code Pro&quot;">(define-param K_Z_MIN 6.0)&nbsp; ; Out-of-plane compon=
ent<o:p></o:p></span></p>
<p class=3D"MsoNormal"><span style=3D"font-size:10.0pt;font-family:&quot;So=
urce Code Pro&quot;">(define-param K_Z_MAX 10.0)&nbsp; ; Out-of-plane compo=
nent<o:p></o:p></span></p>
<p class=3D"MsoNormal"><span style=3D"font-size:10.0pt;font-family:&quot;So=
urce Code Pro&quot;">(define-param K_Z_NUM 20)<o:p></o:p></span></p>
<p class=3D"MsoNormal"><span style=3D"font-size:10.0pt;font-family:&quot;So=
urce Code Pro&quot;"><o:p>&nbsp;</o:p></span></p>
<p class=3D"MsoNormal"><span style=3D"font-size:10.0pt;font-family:&quot;So=
urce Code Pro&quot;">(define Glass (make dielectric (epsilon EPSILON)))<o:p=
></o:p></span></p>
<p class=3D"MsoNormal"><span style=3D"font-size:10.0pt;font-family:&quot;So=
urce Code Pro&quot;">(set! default-material Glass)<o:p></o:p></span></p>
<p class=3D"MsoNormal"><span style=3D"font-size:10.0pt;font-family:&quot;So=
urce Code Pro&quot;">(set! geometry-lattice (make lattice (size lattice-con=
stant lattice-constant no-size)<o:p></o:p></span></p>
<p class=3D"MsoNormal"><span style=3D"font-size:10.0pt;font-family:&quot;So=
urce Code Pro&quot;">&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;=
&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nb=
sp;&nbsp;&nbsp; (basis1 (/ (sqrt 3) 2) 0.5)<o:p></o:p></span></p>
<p class=3D"MsoNormal"><span style=3D"font-size:10.0pt;font-family:&quot;So=
urce Code Pro&quot;">&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;=
&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nb=
sp;&nbsp;&nbsp; (basis2 (/ (sqrt 3) 2) -0.5)))<o:p></o:p></span></p>
<p class=3D"MsoNormal"><span style=3D"font-size:10.0pt;font-family:&quot;So=
urce Code Pro&quot;">(set! geometry (list (make cylinder<o:p></o:p></span><=
/p>
<p class=3D"MsoNormal"><span style=3D"font-size:10.0pt;font-family:&quot;So=
urce Code Pro&quot;">&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;=
&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nb=
sp; (center 0 0 0)<o:p></o:p></span></p>
<p class=3D"MsoNormal"><span style=3D"font-size:10.0pt;font-family:&quot;So=
urce Code Pro&quot;">&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;=
&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nb=
sp; (radius RADIUS)<o:p></o:p></span></p>
<p class=3D"MsoNormal"><span style=3D"font-size:10.0pt;font-family:&quot;So=
urce Code Pro&quot;">&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;=
&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nb=
sp; (height infinity)<o:p></o:p></span></p>
<p class=3D"MsoNormal"><span style=3D"font-size:10.0pt;font-family:&quot;So=
urce Code Pro&quot;">&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;=
&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; &nbsp;&nbsp;&n=
bsp;(material air)<o:p></o:p></span></p>
<p class=3D"MsoNormal"><span style=3D"font-size:10.0pt;font-family:&quot;So=
urce Code Pro&quot;">&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;=
&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nb=
sp; )))<o:p></o:p></span></p>
<p class=3D"MsoNormal"><span style=3D"font-size:10.0pt;font-family:&quot;So=
urce Code Pro&quot;">(set-param! resolution 64)<o:p></o:p></span></p>
<p class=3D"MsoNormal"><span style=3D"font-size:10.0pt;font-family:&quot;So=
urce Code Pro&quot;"><o:p>&nbsp;</o:p></span></p>
<p class=3D"MsoNormal"><span style=3D"font-size:10.0pt;font-family:&quot;So=
urce Code Pro&quot;">(define (run-different-kz current_kz kmax dkz)<o:p></o=
:p></span></p>
<p class=3D"MsoNormal"><span style=3D"font-size:10.0pt;font-family:&quot;So=
urce Code Pro&quot;">&nbsp; (if (&lt;=3D current_kz kmax)<o:p></o:p></span>=
</p>
<p class=3D"MsoNormal"><span style=3D"font-size:10.0pt;font-family:&quot;So=
urce Code Pro&quot;">&nbsp;&nbsp;&nbsp; (begin<o:p></o:p></span></p>
<p class=3D"MsoNormal"><span style=3D"font-size:10.0pt;font-family:&quot;So=
urce Code Pro&quot;">&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; (set! target-freq curre=
nt_kz)<o:p></o:p></span></p>
<p class=3D"MsoNormal"><span style=3D"font-size:10.0pt;font-family:&quot;So=
urce Code Pro&quot;">&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; (set! k-points (list (v=
ector3 0 0 current_kz)&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp=
; ; Gamma<o:p></o:p></span></p>
<p class=3D"MsoNormal"><span style=3D"font-size:10.0pt;font-family:&quot;So=
urce Code Pro&quot;">&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;=
&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nb=
sp;&nbsp;&nbsp;&nbsp;&nbsp; (vector3 0 0.5 current_kz )&nbsp;&nbsp;&nbsp;&n=
bsp;&nbsp;&nbsp;&nbsp; ; M<o:p></o:p></span></p>
<p class=3D"MsoNormal"><span style=3D"font-size:10.0pt;font-family:&quot;So=
urce Code Pro&quot;">&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;=
&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nb=
sp;&nbsp;&nbsp;&nbsp;&nbsp; (vector3 (/ -3) (/ 3) current_kz) ; K<o:p></o:p=
></span></p>
<p class=3D"MsoNormal"><span style=3D"font-size:10.0pt;font-family:&quot;So=
urce Code Pro&quot;">&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;=
&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nb=
sp;&nbsp;&nbsp;&nbsp;&nbsp; (vector3 0 0 current_kz)))&nbsp;&nbsp;&nbsp;&nb=
sp;&nbsp;&nbsp;&nbsp; ; Gamma<o:p></o:p></span></p>
<p class=3D"MsoNormal"><span style=3D"font-size:10.0pt;font-family:&quot;So=
urce Code Pro&quot;">&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; (set! k-points (interpo=
late 9 k-points))<o:p></o:p></span></p>
<p class=3D"MsoNormal"><span style=3D"font-size:10.0pt;font-family:&quot;So=
urce Code Pro&quot;">&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; (run display-zparities =
display-yparities)<o:p></o:p></span></p>
<p class=3D"MsoNormal"><span style=3D"font-size:10.0pt;font-family:&quot;So=
urce Code Pro&quot;">&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; (run-different-kz (&#43=
; current_kz dkz) kmax dkz)<o:p></o:p></span></p>
<p class=3D"MsoNormal"><span style=3D"font-size:10.0pt;font-family:&quot;So=
urce Code Pro&quot;">&nbsp;&nbsp;&nbsp; )<o:p></o:p></span></p>
<p class=3D"MsoNormal"><span style=3D"font-size:10.0pt;font-family:&quot;So=
urce Code Pro&quot;">&nbsp; )<o:p></o:p></span></p>
<p class=3D"MsoNormal"><span style=3D"font-size:10.0pt;font-family:&quot;So=
urce Code Pro&quot;">)<o:p></o:p></span></p>
<p class=3D"MsoNormal"><span style=3D"font-size:10.0pt;font-family:&quot;So=
urce Code Pro&quot;">(run-different-kz K_Z_MIN K_Z_MAX (/ (- K_Z_MAX K_Z_MI=
N) K_Z_NUM ))</span>
</p>
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