import{}¶

Specifications for importing data from a file or generating them from an analytic function, e.g. electrostatic potential, alloy profile, strain profile, doping profile, generation rate profile, electron or hole Fermi level profile.

Once a file has been imported or a function has been defined, it can be used several times, e.g. the same file could include the alloy concentration of a ternary for different region objects.

Data with dimensionality deviating from the simulation dimension can also be imported, e.g. an absorption spectrum for solar cell modeling.

directory

value:

string

example:

“D:\import_files\”

Name of directory where files to be imported are located (if data are imported from files)

file{}

name

example:

“1D_import”

Name for referencing the imported data in the input file, e.g. “imported_potential_profile_2D”

filename

example:

“D:\any_filename.fld”

Name of file which is imported. If an absolute path is included here, the entry in directory specified above is ignored.

alternative:

“any_filename.fld”

Name of file which is imported. The file should be located here: directory\filename

format

options:

AVS DAT

Format of the file to be imported. At the moment only AVS format and a simple .dat format are supported.

number_of_dimensions

options:

1 2 3

Explicit specification of the number of dimensions. Can be only used for .dat files.

(Optional, default value is given by dimensionality of simulation defined in global{})

scale

examples:

1.6022e-19 -1

default:

1

Imported data is multiplied by this scaling factor (optional) .

Useful to correct unit of imported data, e.g. conversion from [Joule] to [eV].

analytic_function{}
define analytic functions to be imported here. Does not need to be defined if data are imported from files.

name

example:

“Analytic_Potential”

Name for referencing the imported function in the input file, e.g. “analytic_function_gaussian”

function

example:

“1+2*x^2+exp(y)”

String defining the function in case only one component needs to be defined, otherwise use component.

Note

Syntax allowed for functions:

white spaces are ignored

valid operators are “+”, “-”, “*”, “/” and “^”

multiplication signs always have to be spelled out (i.e. “5*x” is valid, “5x” is not)

variable names are fixed to “x”, “y” and “z” (capital letters are also allowed)

additional functions also available (e.g. “exp” , “sqrt”, “sin”, see full list below), have to be followed by brackets (“exp(x)” is valid, “exp x” is not)

global variables are allowed if preceded by “$” (e.g. “$PI”)

exponential notation (“2e-3” or “4E10”) is allowed

label

example:

“potential_label”

Label (optional) to be displayed in legend in case only one component is defined, otherwise see component.

component{}
In case multiple components are needed, define one component group for each component.

function_i

example:

“1D_import”

String defining the function for this component.

label

example:

“component_label”

Label (optional) to be displayed in legend for this component.

output_imports{}
Output all imported data including scale factor.

The filenames correspond to the entry given in name = ….

The files will be written to a folder called Imports/.

The following operators (sorted with decreasing precedence)

power (exponentiation)	`^`
multiplication, division	`*` `/`
plus and minus	`+` `-`
round arithmetic brackets	`(` `)`

and functions are defined in analytic_function:

`sqrt()`	square root $\sqrt{\text{ }}$
`cbrt()`	cubic root $\sqrt[3]{\text{ }}$
`exp()`	exponential function $\exp({\text{ }})$
`log()`	natural logarithm $\log$
`ln()`	natural logarithm $\ln$
`log2()`	decadic logarithm (base 2) $\log_{2}$
`log10()`	decadic logarithm (base 10) $\log_{10}$
`sin()`	sine $\sin({\text{ }})$
`cos()`	cosine $\cos({\text{ }})$
`tan()`	tangent $\tan({\text{ }})$
`asin()`	acrsine $\sin^{-1}({\text{ }})$
`acos()`	arccosine $\cos^{-1}({\text{ }})$
`atan()`	arctangent $\tan^{-1}({\text{ }})$
`sinh()`	hyperbolic sine $\sinh({\text{ }})$
`cosh()`	hyperbolic cosine $\cosh({\text{ }})$
`tanh()`	hyperbolic tangent $\tanh({\text{ }})$
`asinh()`	inverse hyperbolic sine $\sinh^{-1}({\text{ }})$
`acosh()`	inverse hyperbolic cosine $\cosh^{-1}({\text{ }})$
`atanh()`	inverse hyperbolic tangent $\tanh^{-1}({\text{ }})$
`erf()`	error function $\text{erf}({\text{ }})$
`erfc()`	complementary error function $\text{erfc}({\text{ }})$
`gamma()`	Gamma function $\Gamma({\text{ }})$
`fdm3half()`	complete Fermi–Dirac integral $F_{-3/2}({ })$ of order -3/2 (includes the $1/\Gamma(-1/2)$ prefactor)
`fdmhalf()`	complete Fermi–Dirac integral $F_{-1/2}({ })$ of order -1/2 (includes the $1/\Gamma(1/2)$ prefactor)
`fdzero()`	complete Fermi–Dirac integral $F_{0}({ })$ of order 0 (includes the $1/\Gamma(1)=1$ prefactor)
`fdphalf()`	complete Fermi–Dirac integral $F_{1/2}({ })$ of order 1/2 (includes the $1/\Gamma(3/2)$ prefactor)
`fdp3half()`	complete Fermi–Dirac integral $F_{3/2}({ })$ of order 3/2 (includes the $1/\Gamma(5/2)$ prefactor)
`abs()`	absolute value $\|{\text{ }}\|$
`floor()`	floor function floor(x): largest integer $\le x$
`ceil()`	ceiling function ceil(x): smallest integer $\ge x$
`round()`	rounds the number to the nearest integer
`sign()`	sign function
`heaviside()`	Heaviside step function (corresponds to `isnotnegative()`)
`ispositive()`	check if value is positive
`isnegative()`	check if value is negative
`iszero()`	check if value is zero
`isnotpositive()`	check if value is not positive
`isnotnegative()`	check if value is not negative (corresponds to `heaviside()`)
`isnotzero()`	check if value is not zero