Dear MPB user and St.V.Johnson,
I wish to calculate the band diagram of a overlapping titania shell
hollow model ( inverse opal). I wonder my calculation is correct since
the result is different from the transmission spectra:
(set! default-material (make dielectric (epsilon 1)))
(set! geometry-lattice (make lattice
(basis-size (sqrt 0.5) (sqrt 0.5) (sqrt 0.5))
(basis1 0 1 1)
(basis2 1 0 1)
(basis3 1 1 0)))
(set! k-points (interpolate 4 (list
(vector3 0 0.5 0.5) ; X
(vector3 0 0.625 0.375) ; U
(vector3 0 0.5 0) ; L
(vector3 0 0 0) ; Gamma
(vector3 0 0.5 0.5) ; X
(vector3 0.25 0.75 0.5) ; W
(vector3 0.375 0.75 0.375)))) ; K
;(define-param rbig 0.380953778) ; sphere of shell
;(define-param rsmall 0.35355339) ; radius of the air spheres
(define diel1 (make dielectric (epsilon 1)))
(define diel2 (make dielectric (epsilon 6.25)))
(set! geometry (list (make sphere (center 0) (radius 0.380953778) ; make
titania shell
(material diel2))
(make sphere (center 0) (radius 0.35355339)
; make air sphere
(material diel1))
))
(set-param! resolution 16)
(set-param! mesh-size 10)
(set-param! num-bands 20)
(run)
thanks in advance
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