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Neutron Scattering

Neutron Scattering - JuSER - Forschungszentrum Jülich

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(000)<br />

Figure 2 Schematic drawing of the vectors determining the position of an atom in the crystal lattice .<br />

that the interaction potential (13 .2)<br />

does not show the full translation symmetry of the<br />

crystal lattice .<br />

The local variation of the scattering length Splits the differential cross<br />

section into two contributions<br />

d2a d2( d2~<br />

(1,S2(1,E' - (dS2dE' ) `~ rz + (d52dE')zT' c °'L .<br />

The coherent contribution is determined by the mean scattering length, whereas the<br />

incoherent contribution is given by the root mean square deviation to the averaged scattering<br />

length .<br />

In order to calculate the differential cross section in (13 .1) it is<br />

necessary to know the<br />

states in the sample or at least to parameterize them . 'The sum over the states Az in<br />

(13 .1) may be transformed to the correlation function, in which one has to introduce the<br />

parameterized Eigen-states of the system .<br />

In order to achieve this transformation in case<br />

of the phonons we consider the vibrations of a crystal in harmonic approximation .<br />

- Description of lattice drynarrrics irr harrrronic approxirrration- A crystal consists of N<br />

unit cells with ri atouts within each of theut, the equilibrium position of any atom is<br />

given<br />

by the position of the unit cell to which it belongs, 1,<br />

and by the position of the atomic<br />

site in the unit cell, d .<br />

At a certain time the atout may be displaced from its equilibrium<br />

position by u(l, d) .<br />

The instantaneous position is hence given by Rl .d = l +d+u(l, d) (sec<br />

figure 2) .<br />

For simplification we consider first a lattice with only one atom in the unit cell, d = 0 ;<br />

l describes then the equilibrium position of the atom . 'The interaction potential between<br />

two atoms l and l', ~D (l, l'), may be expanded at the equilibrium position in teruts of<br />

u(l)=u(l')=0 . The constant term does not give any contribution to the equations of<br />

movement, it is relevant only for the total energy of the crystal structure .<br />

Since at the<br />

13-3

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