Environmental Engineering Reference
In-Depth Information
that the trace of the Hamiltonian (2.1.1) vanishes, and hence that the
denominator in (2.1.11) is Tr
=(2
J
+1)
N
. For the second-order
{
1
}
term in the numerator, we find
Tr
J
iα
J
jβ
H
=
δ
ij
B
2
Tr
J
iα
J
iβ
O
2
(
J
i
)
−J
(
ij
)Tr
J
iα
J
jβ
J
i
·
J
j
=
δ
ij
δ
αβ
B
2
Tr
J
iα
[3
J
iz
−
J
(
J
+1)]
−
(
ij
)Tr
J
iα
J
jα
,
δ
αβ
J
utilizing that
J
iα
J
jβ
is a linear combination of second- and lower-rank
tensors for
i
=
j
, and a product of first-rank tensors for
i
=
j
.When
α
=
z
(or
ζ
), we may readily calculate the first trace, using
m
4
=
1
15
J
(
J
+ 1)(2
J
+ 1)(3
J
2
+3
J
−
1)
.
The traces with
α
=
x
or
α
=
y
must be equal, and using this equality
in the case
α
=
x
, for instance, we may replace
J
x
in the trace by
1
2
(
J
x
+
J
y
)
1
1
2
J
z
. As the constant term multiplied by
→
2
J
(
J
+1)
−
3
J
z
−
3
J
z
−
J
(
J
+ 1) does not contribute (as Tr
{
J
(
J
+1)
}
= 0), the
trace with
α
=
x
or
y
is equal to
1
/
2 times that with
α
=
z
. Only the
single-ion terms contribute to the trace when
i
=
j
(
−
(
ii
) is assumed to
be zero), and of these only the lowest-rank term
B
2
appears, to leading
order. The two-ion coupling only occurs in the trace, and hence in
χ
αβ
(
ij
), when
i
J
=
j
, and this contribution may be straightforwardly
calculated. To second order in
β
, the off-diagonal terms are zero, whereas
J
(
J
+1)
β
1
)
β
χ
αα
(
ij
)=
δ
ij
3
−
5
−
2
)(
J
+
2
1)
B
2
(
J
(3
δ
αζ
−
+
3
J
(
J
+1)
β
2
J
(
ij
)
.
Introducing the Fourier transform of the two-ion coupling,
(
q
)=
j
(
ij
)
e
−i
q
·
(
R
i
−
R
j
)
,
J
J
(2
.
1
.
13)
we find that, to the order considered, the inverse of the
q
-dependent
susceptibility may be written
2
)(
J
+
2
)
5
J
(
J
+1)
1
3
k
B
T
1)
6(
J
−
B
2
−J
1
/χ
αα
(
q
)=
J
(
J
+1)
+(3
δ
αζ
−
(
q
)+
O
(1
/T
)
.
(2
.
1
.
14)
The inverse susceptibility in the high-temperature limit thus increases
linearly with the temperature, with a slope inversely proportional to the
square of the effective paramagnetic moment (
1
/
2
). The
susceptibilities determined experimentally by magnetization measure-
∝{
J
(
J
+1)
}
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