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1994-02-18
|
2KB
|
61 lines
| PEAK FUNCTIONS
| Gaussian, amplitude= k1, center= k2, width (fwhm) = 2*sqrt(ln(2))*k3, area = k1*k3*sqrt(Pi)
Function/D gauss(k1,k2,k3)
Variable/D k1,k2,k3
return k1*exp(-((x-k2)/k3)^2)
End
| Lorentzian, amplitude= k1/k3, center= k2, width (fwhm) = 2*sqrt(k3), area = Pi*k1/sqrt(k3)
Function/D lor(k1,k2,k3)
Variable/D k1,k2,k3
return k1/((x-k2)^2+k3)
End
| Note that the constants are single-precision; your waves must also be single-precision.
| Voigt profile, center = 0, amplitude = voigt(0,y),
| width (fwhm) = (y+sqrt(y*y+4*ln(2))) [+/- 1%], area = sqrt(Pi)
Function Voigt(X,Y)
variable X,Y
variable/C W,U,T= cmplx(Y,-X)
variable S =abs(X)+Y
if( S >= 15 ) | Region I
W= T*0.5641896/(0.5+T*T)
else
if( S >= 5.5 ) | Region II
U= T*T
W= T*(1.410474+U*0.5641896)/(0.75+U*(3+U))
else
if( Y >= (0.195*ABS(X)-0.176) ) | Region III
W= (16.4955+T*(20.20933+T*(11.96482+T*(3.778987+T*0.5642236))))
W /= (16.4955+T*(38.82363+T*(39.27121+T*(21.69274+T*(6.699398+T)))))
else | Region IV
U= T*T
W= T*(36183.31-U*(3321.9905-U*(1540.787-U*(219.0313-U*(35.76683-U*(1.320522-U*0.56419))))))
W /= (32066.6-U*(24322.84-U*(9022.228-U*(2186.181-U*(364.2191-U*(61.57037-U*(1.841439-U)))))))
W= cmplx(exp(real(U))*cos(imag(U)),0)-W
endif
endif
endif
return real(W)
end
| Doniac-Sunjic lineshape for photoelectron spectroscopy.
| This version builds XPS core lineshapes in K.E. mode.
| (See Physical Review Letters 61, 357 (1988) for source and authors of this version.)
| "Dr. K.-M. Schindler" <schindler@fhi-berlin.mpg.d400.de>
Function/D DoniacSunjic(Ee, Alpha, Gamma, EF)
Variable/D Ee, Alpha, Gamma, EF
Variable/D Eps, OneAlp, Tmp
Eps = Ee - EF
OneAlp = 1. - Alpha
Tmp = (Eps * Eps + Gamma * Gamma) ^ (-.5 * OneAlp)
Tmp = Tmp * cos(Pi/2 * Alpha + OneAlp * atan2(Eps,Gamma))
return Tmp / sin(Pi * OneAlp)
End