def TriHolesSlab3D(
material, radius, thickness, numbands=8, k_interpolation=11,
resolution=32, mesh_size=7, supercell_z=6,
runmode='sim', num_processors=2,
save_field_patterns=True, convert_field_patterns=True,
containing_folder='./',
job_name_suffix='', bands_title_appendix='',
custom_k_space=None, modes=('zeven', 'zodd'),
substrate_material=None):
"""Create a 3D MPB Simulation of a slab with a triangular lattice of
holes.
:param material: can be a string (e.g. SiN,
4H-SiC-anisotropic_c_in_z; defined in data.py) or just the epsilon
value (float)
:param radius: the radius of holes in units of the lattice constant
:param thickness: slab thickness in units of the lattice constant
:param numbands: number of bands to calculate
:param k_interpolation: number of the k-vectors between every two of
the used high symmetry points Gamma, M, K and Gamma again, so the
total number of simulated k-vectors will be 3*k_interpolation + 4
:param resolution: described in MPB documentation
:param mesh_size: described in MPB documentation
:param supercell_z: the height of the supercell in units of the
lattice constant
:param runmode: can be one of the following:
'' : just create and return the simulation object
'ctl' : create the sim object and save the ctl file
'sim' (default): run the simulation and do all postprocessing
'postpc' : do all postprocessing; simulation should have run
before!
'display': display all pngs done during postprocessing. This is
the only mode that is interactive.
:param num_processors: number of processors used during simulation
:param save_field_patterns: indicates whether field pattern h5 files
are generated during the simulation (at points of high symmetry)
:param convert_field_patterns: indicates whether field pattern h5
files should be converted to png (only when postprocessing)
:param containing_folder: the path to the folder which will contain
the simulation subfolder.
:param job_name_suffix: Optionally specify a job_name_suffix
(appendix to the folder name etc.) which will be appended to the
jobname created automatically from the most important parameters.
:param bands_title_appendix: will be added to the title of the bands
diagram.
:param custom_k_space: By default, KSpaceTriangular with
k_interpolation interpolation steps are used. Provide any KSpace
object here to customize this. k_interpolation will then be ignored.
:param modes: a list of modes to run. Possible are 'zeven', 'zodd'
or '' (latter meaning no distinction). Default: ['zeven', 'zodd']
:param substrate_material: the material of an optional substrate,
see param material. Holes will not be extended into the substrate.
Default: None, i.e. the substrate is air.
:return: the Simulation object
"""
mat = Dielectric(material)
geom = Geometry(
width=1,
height=1,
depth=supercell_z,
triangular=True,
objects=[
Block(
x=0, y=0, z=0,
material=mat,
#make it bigger than computational cell, just in case:
size=(2, 2, thickness)),
Rod(
x=0,
y=0,
material='air',
radius=radius)])
if substrate_material:
geom.add_substrate(
Dielectric(substrate_material),
start_at=-0.5 * thickness)
if isinstance(custom_k_space, KSpace):
kspace = custom_k_space
else:
kspace = KSpaceTriangular(
k_interpolation=k_interpolation,
use_uniform_interpolation=defaults.newmpb)
# points of interest: (output mode patterns at these points)
if save_field_patterns:
poi = kspace.points()[0:-1]
else:
poi = []
runcode = ''
for mode in modes:
if mode == '':
runcode += (
'(run %s)\n' % (
defaults.default_band_func(
poi, ' '.join(defaults.output_funcs_other))
) +
'(print-dos 0 1.2 121)\n\n')
else:
if mode == 'zeven':
outputfunc = ' '.join(defaults.output_funcs_te)
else:
outputfunc = ' '.join(defaults.output_funcs_tm)
runcode += (
'(run-%s %s)\n' % (
mode, defaults.default_band_func(poi, outputfunc)
) +
'(print-dos 0 1.2 121)\n\n')
jobname = 'TriHolesSlab_{0}_r{1:03.0f}_t{2:03.0f}'.format(
mat.name, radius * 1000, thickness * 1000)
sim = Simulation(
jobname=jobname + job_name_suffix,
geometry=geom,
kspace=kspace,
numbands=numbands,
resolution=resolution,
mesh_size=mesh_size,
initcode=defaults.default_initcode,
postcode='',
runcode=runcode,
work_in_subfolder=path.join(
containing_folder, jobname + job_name_suffix),
clear_subfolder=runmode.startswith('s') or runmode.startswith('c'))
draw_bands_title = ('Hex. PhC slab; '
'{0}, thickness={1:0.3f}, radius={2:0.3f}'.format(
mat.name,
geom.objects[0].size[2],
geom.objects[1].radius) +
bands_title_appendix)
return do_runmode(
sim, runmode, num_processors, draw_bands_title,
plot_crop_y=0.8 / geom.substrate_index,
convert_field_patterns=convert_field_patterns,
field_pattern_plot_filetype=defaults.field_dist_filetype,
field_pattern_plot_k_selection=None,
x_axis_hint=[defaults.default_x_axis_hint, kspace][kspace.has_labels()]
)
def TriHolesSlab3D(material,
radius,
thickness,
numbands=8,
k_interpolation=11,
resolution=32,
mesh_size=7,
supercell_z=6,
runmode='sim',
num_processors=2,
save_field_patterns=True,
convert_field_patterns=True,
containing_folder='./',
job_name_suffix='',
bands_title_appendix='',
custom_k_space=None,
modes=('zeven', 'zodd'),
substrate_material=None):
"""Create a 3D MPB Simulation of a slab with a triangular lattice of
holes.
:param material: can be a string (e.g. SiN,
4H-SiC-anisotropic_c_in_z; defined in data.py) or just the epsilon
value (float)
:param radius: the radius of holes in units of the lattice constant
:param thickness: slab thickness in units of the lattice constant
:param numbands: number of bands to calculate
:param k_interpolation: number of the k-vectors between every two of
the used high symmetry points Gamma, M, K and Gamma again, so the
total number of simulated k-vectors will be 3*k_interpolation + 4
:param resolution: described in MPB documentation
:param mesh_size: described in MPB documentation
:param supercell_z: the height of the supercell in units of the
lattice constant
:param runmode: can be one of the following:
'' : just create and return the simulation object
'ctl' : create the sim object and save the ctl file
'sim' (default): run the simulation and do all postprocessing
'postpc' : do all postprocessing; simulation should have run
before!
'display': display all pngs done during postprocessing. This is
the only mode that is interactive.
:param num_processors: number of processors used during simulation
:param save_field_patterns: indicates whether field pattern h5 files
are generated during the simulation (at points of high symmetry)
:param convert_field_patterns: indicates whether field pattern h5
files should be converted to png (only when postprocessing)
:param containing_folder: the path to the folder which will contain
the simulation subfolder.
:param job_name_suffix: Optionally specify a job_name_suffix
(appendix to the folder name etc.) which will be appended to the
jobname created automatically from the most important parameters.
:param bands_title_appendix: will be added to the title of the bands
diagram.
:param custom_k_space: By default, KSpaceTriangular with
k_interpolation interpolation steps are used. Provide any KSpace
object here to customize this. k_interpolation will then be ignored.
:param modes: a list of modes to run. Possible are 'zeven', 'zodd'
or '' (latter meaning no distinction). Default: ['zeven', 'zodd']
:param substrate_material: the material of an optional substrate,
see param material. Holes will not be extended into the substrate.
Default: None, i.e. the substrate is air.
:return: the Simulation object
"""
mat = Dielectric(material)
geom = Geometry(
width=1,
height=1,
depth=supercell_z,
triangular=True,
objects=[
Block(
x=0,
y=0,
z=0,
material=mat,
#make it bigger than computational cell, just in case:
size=(2, 2, thickness)),
Rod(x=0, y=0, material='air', radius=radius)
])
if substrate_material:
geom.add_substrate(Dielectric(substrate_material),
start_at=-0.5 * thickness)
if isinstance(custom_k_space, KSpace):
kspace = custom_k_space
else:
kspace = KSpaceTriangular(k_interpolation=k_interpolation,
use_uniform_interpolation=defaults.newmpb)
# points of interest: (output mode patterns at these points)
if save_field_patterns:
poi = kspace.points()[0:-1]
else:
poi = []
runcode = ''
for mode in modes:
if mode == '':
runcode += ('(run %s)\n' % (defaults.default_band_func(
poi, ' '.join(defaults.output_funcs_other))) +
'(print-dos 0 1.2 121)\n\n')
else:
if mode == 'zeven':
outputfunc = ' '.join(defaults.output_funcs_te)
else:
outputfunc = ' '.join(defaults.output_funcs_tm)
runcode += ('(run-%s %s)\n' %
(mode, defaults.default_band_func(poi, outputfunc)) +
'(print-dos 0 1.2 121)\n\n')
jobname = 'TriHolesSlab_{0}_r{1:03.0f}_t{2:03.0f}'.format(
mat.name, radius * 1000, thickness * 1000)
sim = Simulation(jobname=jobname + job_name_suffix,
geometry=geom,
kspace=kspace,
numbands=numbands,
resolution=resolution,
mesh_size=mesh_size,
initcode=defaults.default_initcode,
postcode='',
runcode=runcode,
work_in_subfolder=path.join(containing_folder,
jobname + job_name_suffix),
clear_subfolder=runmode.startswith('s')
or runmode.startswith('c'))
draw_bands_title = (
'Hex. PhC slab; '
'{0}, thickness={1:0.3f}, radius={2:0.3f}'.format(
mat.name, geom.objects[0].size[2], geom.objects[1].radius) +
bands_title_appendix)
return do_runmode(sim,
runmode,
num_processors,
draw_bands_title,
plot_crop_y=0.8 / geom.substrate_index,
convert_field_patterns=convert_field_patterns,
field_pattern_plot_filetype=defaults.field_dist_filetype,
field_pattern_plot_k_selection=None,
x_axis_hint=[defaults.default_x_axis_hint,
kspace][kspace.has_labels()])
