Environmental Engineering Reference
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proportional to the susceptibility at the wave-vector considered. The
usual definition of the susceptibility components (per unit volume),
as used in Chapter 1, is δM α ( q ) /δH β ( q ). The susceptibility used in
(2 . 1 . 10 b )differsfromthisbythefactor V/N , i.e. we are here considering
the susceptibility per atom instead of per unit volume. Furthermore,
since we shall not make any further use of χ αβ ( q ), we shall reserve the
notation χ αβ ( q )forthe q -dependent susceptibility χ αβ ( q ), introduced
in eqn (2 . 1 . 9 b ), throughout the rest of the topic. So in terms of the
susceptibility per atom, 'in units of ( B ) 2 ', the above equation may be
written
N
i
e −i q · R i =
β
1
δ
J α ( q )
=
δ
J
χ αβ ( q ) δh β ( q ) ,
(2 . 1 . 10 c )
with the upper index J in χ αβ ( q ) being suppressed from now on.
2.1.1 The high-temperature susceptibility
In order to calculate χ ( q ) in zero field, we shall first use the approxi-
mation (2.1.6) to the derivative of the free energy, valid at high temper-
atures. In this limit
J i
= 0 , and only one term in the expansion is
non-zero:
χ αβ ( ij )= β Tr J J (1
) Tr 1
H ,
β
H
β
(2 . 1 . 11)
to second order in β . The commutator in the third term on the right-
hand side of (2.1.6) is either zero or purely imaginary (if i = j and
α
= β ), showing immediately that the expectation value of this term
must vanish in all cases. To first order in β , we obtain from (2.1.11)
β Tr J J Tr 1 = 3
χ αβ ( ij )
J ( J +1) βδ αβ δ ij ,
using the product of the eigenvectors of J as the basis, and recalling
that
m 2 = 3
J ( J + 1)(2 J +1) ,
when m runs from
J to J . In order to calculate the second-order
contribution, we shall utilize the general tensor properties of the Stevens
operators, which satisfy the orthogonality condition:
Tr O l
( J j ) = δ ij δ ll δ mm Tr [ O l
( J i )] 2
( J i ) O m
l
(2 . 1 . 12)
Tr O l
( J i ) =0 ,
and
when l and l are both non-zero. O 0 is just the identity operator. J is
a linear combination of O 1 ( J i ), m =
1 , 0 , 1, and (2.1.12) then implies
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