Determine the intensities of GaAs crystal planes

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SUMMARY

The discussion focuses on determining the intensities of GaAs crystal planes using specific equations related to structure factors. The primary equation discussed is I = (F^2)*m*Lf, where F is derived from the atomic scattering factors of Ga and As. The user highlights that certain planes, such as (100), are forbidden in the face-centered cubic (FCC) structure of GaAs, leading to potential discrepancies in calculated intensities. The conversation emphasizes the importance of correctly applying the structure factor formulas to avoid erroneous peak predictions.

PREREQUISITES
  • Understanding of GaAs crystal structures and their atomic positions.
  • Familiarity with structure factor calculations in crystallography.
  • Knowledge of the Lorentz factor and its application in intensity calculations.
  • Proficiency in using mathematical equations involving trigonometric functions and complex numbers.
NEXT STEPS
  • Research the implications of forbidden peaks in FCC crystal structures.
  • Study the derivation and application of the atomic scattering factor for Ga and As.
  • Explore advanced crystallography techniques such as X-ray diffraction analysis.
  • Learn about the significance of multiplicity and its impact on intensity calculations.
USEFUL FOR

Researchers in materials science, crystallographers, and physicists working with semiconductor materials, particularly those focusing on GaAs and its crystallographic properties.

ralden
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GaAs crystal structures have basis atoms:

Ga: (0 0 0), (0.5 0.5 0),(0.5 0 0.5),(0 0.5 0.5)
As: (0.25 0.25 0.25),(0.75 0.75 0.25),(0.75 0.25 0.75),(0.25 0.75 0.75)

i'm trying to find intensities at all of its plane, using this equation:

I = (F^2)*m*Lf (m= multiplicity, Lf=lorentz factor)

where F = f*cos(2*pi*(hx +ky +zl)), (f =atomic scattering factor)

or you could used:the simplest form:
F^2 = 16(fGa^2 + fAs^2 + 2f*Ga*fAs*(cos(90*(h+ k +)l)) )

but using this equation you would have peaks at 001 plane and other planes that base on literature would generate a zero Intensity,

so my problem was, are my equations or the F^2 simplest form are correct?
 
Physics news on Phys.org
GaAs is FCC, so (100) peaks are forbidden.

With such structure factor formulae, it is always assumed that the peak exists to begin with. Otherwise you could calculate a non-zero structure factor even for non-integer values of hkl - which clearly do not give a Bragg peak.
 

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