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Analysis of the extended defects in 3C-SiC.pdf - Nelson Mandela ...

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40<br />

The follow<strong>in</strong>g procedure is followed. First draw <strong>the</strong> reciprocal lattice with orig<strong>in</strong> O.<br />

Then draw <strong>the</strong> <strong>in</strong>cident wave vector k such that its end po<strong>in</strong>t co<strong>in</strong>cides with O. The<br />

po<strong>in</strong>t C is <strong>the</strong>n taken as <strong>the</strong> center <strong>of</strong> a sphere with radius |k|. Whenever a reciprocal<br />

lattice po<strong>in</strong>t falls on this sphere, <strong>the</strong> Bragg condition is satisfied and a diffracted<br />

vector k+g may occur. Note also that more than one reciprocal lattice po<strong>in</strong>t may lie on<br />

<strong>the</strong> Ewald sphere which <strong>in</strong>dicates that multiple beam diffraction may occur. This is<br />

due to a relaxation <strong>of</strong> <strong>the</strong> Bragg condition due to <strong>the</strong> sample geometry caus<strong>in</strong>g <strong>the</strong><br />

reciprocal po<strong>in</strong>ts to extend <strong>in</strong>to rods (see Hirsch et al. (1965)).<br />

4.2.3 Darw<strong>in</strong>-Howie-Whelan Equations<br />

Bragg’s law shows that electrons are diffracted <strong>in</strong> directions k' given by k+g for all<br />

reciprocal lattice po<strong>in</strong>ts g ly<strong>in</strong>g on <strong>the</strong> Ewald sphere. Hence it may be anticipated that<br />

<strong>the</strong> total wave function at <strong>the</strong> exit surface <strong>of</strong> <strong>the</strong> crystal will be a superposition <strong>of</strong><br />

plane waves, one <strong>in</strong> each <strong>of</strong> <strong>the</strong> directions predicted by <strong>the</strong> Bragg equation. All that<br />

rema<strong>in</strong>s is <strong>the</strong> computation <strong>of</strong> <strong>the</strong> complex amplitudes <strong>of</strong> each <strong>of</strong> <strong>the</strong> diffracted waves<br />

which are given by <strong>the</strong> Darw<strong>in</strong>-Howie-Whelan (DHW) equations:<br />

d<br />

dz<br />

g<br />

2is<br />

<br />

g<br />

g<br />

i<br />

i<br />

g g<br />

'<br />

e<br />

' g q '<br />

g g<br />

<br />

'<br />

g<br />

(4.5)<br />

These DHW equations are derived from <strong>the</strong> Schröd<strong>in</strong>ger equation for dynamical<br />

electron scatter<strong>in</strong>g,<br />

2<br />

2 2<br />

2 8<br />

me<br />

4 K 0 4<br />

U ( r)<br />

V ( r)<br />

<br />

2 c<br />

(4.6)<br />

h<br />

where Vc is a complex electrostatic lattice potential Vc=V + iW. The Fourier<br />

transform <strong>of</strong> which is given by,<br />

V ( r)<br />

V V<br />

'(<br />

r)<br />

iW ( r)<br />

V<br />

c<br />

0<br />

0<br />

<br />

2igr<br />

Vg e i<br />

g0 g<br />

W<br />

g<br />

e<br />

2igr<br />

(4.7)

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