-
(1) Inverse Landau problem (Ascher & Kobayashi, 1977) of equitranslational phase transitions: For a given equitranslational symmetry descent (determined for example from diffraction experiments), find the representation of that specifies the transformation properties of the primary order parameter. Solution: In Table 3.1.3.1, one finds a physically irreducible representation of the point group G of with epikernel F (point group of ). For some symmetry descents from cubic point groups , and , the inverse Landau problem has two solutions, which are given in Table 3.1.3.2.
R
-irep
|
Standard variables
|
Ferroic symmetry
|
Principal tensor parameters
|
Domain states
|
|
|
|
|
|
Parent symmetry
:
|
No ferroic symmetry descent
|
Parent symmetry
:
|
|
|
|
|
|
All components of odd parity tensors
|
2
|
1
|
2
|
R
-irep
|
Standard variables
|
Ferroic symmetry
|
Principal tensor parameters
|
Domain states
|
|
|
|
|
|
Parent symmetry
:
|
B
|
|
1
|
|
1
|
, ;
|
2
|
2
|
2
|
Parent symmetry
:
|
|
|
1
|
|
1
|
; ;
|
2
|
2
|
2
|
Parent symmetry
:
|
|
|
|
|
1
|
|
2
|
2
|
0
|
|
|
|
|
1
|
;
|
2
|
1
|
2
|
|
|
|
|
1
|
|
2
|
1
|
2
|
R
-irep
|
Standard variables
|
Ferroic symmetry
|
Principal tensor parameters
|
Domain states
|
|
|
|
|
|
Parent symmetry
:
|
|
|
|
|
1
|
;
|
2
|
2
|
2
|
|
|
|
|
1
|
;
|
2
|
2
|
2
|
|
|
|
|
1
|
;
|
2
|
2
|
2
|
Parent symmetry
:
|
|
|
|
|
1
|
|
2
|
2
|
1
|
|
|
|
|
1
|
;
|
2
|
2
|
2
|
|
|
|
|
1
|
;
|
2
|
2
|
2
|
Parent symmetry
:
|
|
|
|
|
1
|
|
2
|
2
|
0
|
|
|
|
|
1
|
|
2
|
2
|
0
|
|
|
|
|
1
|
|
2
|
2
|
0
|
|
|
|
|
1
|
; , , ; , ,
|
2
|
1
|
0
|
|
|
|
|
1
|
|
2
|
1
|
2
|
|
|
|
|
1
|
|
2
|
1
|
2
|
|
|
|
|
1
|
|
2
|
1
|
2
|
R
-irep
|
Standard variables
|
Ferroic symmetry
|
Principal tensor parameters
|
Domain states
|
|
|
|
|
|
Parent symmetry
:
|
B
|
|
|
|
1
|
,
|
2
|
2
|
1
|
|
|
|
|
1
|
;
|
4
|
4
|
4
|
(Li)
|
|
|
|
|
|
|
|
|
Parent symmetry
:
|
B
|
|
|
|
1
|
; ; ,
|
2
|
2
|
2
|
|
|
|
|
1
|
;
|
4
|
4
|
4
|
Parent symmetry
:
|
|
|
|
|
1
|
,
|
2
|
2
|
0
|
|
|
|
|
1
|
;
|
2
|
1
|
2
|
|
|
|
|
1
|
, ; , , ,
|
2
|
1
|
0
|
|
|
|
|
1
|
|
4
|
4
|
0
|
|
|
|
|
1
|
|
4
|
2
|
4
|
Parent symmetry
:
|
|
|
|
|
1
|
|
2
|
1
|
2
|
|
|
|
|
1
|
|
2
|
2
|
0
|
|
|
|
|
1
|
|
2
|
2
|
0
|
E
|
|
|
|
2
|
;
|
4
|
4
|
4
|
|
|
|
|
2
|
;
|
4
|
4
|
4
|
(Li)
|
|
|
|
1
|
;
|
8
|
8
|
8
|
Parent symmetry
:
|
|
|
|
|
1
|
; , ;
|
2
|
1
|
1
|
|
|
|
|
1
|
|
2
|
2
|
1
|
|
|
|
|
1
|
|
2
|
2
|
1
|
E
|
|
|
|
2
|
;
|
4
|
4
|
4
|
|
|
|
|
2
|
;
|
4
|
4
|
4
|
|
|
|
|
1
|
;
|
8
|
8
|
8
|
Parent symmetry
:
|
|
|
|
|
1
|
; ,
|
2
|
1
|
0
|
|
|
|
|
1
|
;
|
2
|
2
|
0
|
|
|
|
|
1
|
;
|
2
|
2
|
2
|
E
|
|
|
|
2
|
;
|
4
|
4
|
4
|
|
|
|
|
2
|
;
|
4
|
4
|
4
|
|
|
|
|
1
|
;
|
8
|
8
|
8
|
Parent symmetry
:
|
|
|
|
|
1
|
; ,
|
2
|
1
|
0
|
|
|
|
|
1
|
;
|
2
|
2
|
2
|
|
|
|
|
1
|
;
|
2
|
2
|
0
|
E
|
|
|
|
2
|
;
|
4
|
4
|
4
|
|
|
|
|
2
|
;
|
4
|
4
|
4
|
|
|
|
|
1
|
;
|
8
|
8
|
8
|
Parent symmetry
:
|
|
|
|
|
1
|
, ,
|
2
|
1
|
0
|
|
|
|
|
1
|
|
2
|
2
|
0
|
|
|
|
|
1
|
|
2
|
2
|
0
|
|
|
|
|
1
|
; , ;
|
2
|
1
|
0
|
|
|
|
|
1
|
|
2
|
1
|
2
|
|
|
|
|
1
|
; ,
|
2
|
1
|
0
|
|
|
|
|
1
|
; ,
|
2
|
1
|
0
|
|
|
|
|
2
|
|
4
|
4
|
0
|
|
|
|
|
2
|
|
4
|
4
|
0
|
|
|
|
|
1
|
|
8
|
8
|
0
|
|
|
|
|
2
|
|
4
|
2
|
4
|
|
|
|
|
2
|
|
4
|
2
|
4
|
|
|
|
|
1
|
|
8
|
8
|
8
|
R
-irep
|
Standard variables
|
Ferroic symmetry
|
Principal tensor parameters
|
Domain states
|
|
|
|
|
|
Parent symmetry
:
|
E
|
|
|
|
1
|
(, )
|
3
|
3
|
3
|
|
|
|
|
|
(, ), (, )
|
|
|
|
(La, Li)
|
|
|
|
|
|
|
|
|
Parent symmetry
:
|
|
|
|
|
1
|
;
|
2
|
1
|
2
|
|
|
|
|
1
|
(, ), (, )
|
3
|
3
|
0
|
(La)
|
|
|
|
|
|
|
|
|
|
|
|
|
1
|
(, )
|
6
|
3
|
6
|
Parent symmetry
:
|
|
|
|
|
1
|
|
2
|
1
|
2
|
E
|
|
|
|
3
|
; ,
|
3
|
3
|
3
|
(La, Li)
|
|
|
|
1
|
(, ); (, ), (, )
|
6
|
6
|
6
|
Parent symmetry
:
|
|
|
|
|
1
|
; , ; ,
|
2
|
1
|
1
|
E
|
|
|
|
3
|
; ,
|
3
|
3
|
3
|
(La)
|
|
|
|
1
|
(, ); (, ), (, )
|
6
|
6
|
6
|
Parent symmetry
:
|
|
|
|
|
1
|
, , ,
|
2
|
1
|
0
|
|
|
|
|
1
|
; , ; ,
|
2
|
1
|
0
|
|
|
|
|
1
|
|
2
|
1
|
2
|
|
|
|
|
3
|
,
|
3
|
3
|
0
|
(La)
|
|
|
|
1
|
(, ), (, )
|
6
|
6
|
0
|
|
|
|
|
3
|
|
6
|
3
|
6
|
|
|
|
|
3
|
|
6
|
3
|
6
|
|
|
|
|
1
|
(, )
|
12
|
6
|
12
|
Parent symmetry
:
|
|
|
|
|
1
|
|
2
|
1
|
2
|
E
|
|
|
|
3
|
; ,
|
3
|
3
|
3
|
(La, Li)
|
|
|
|
1
|
(, ); (, ), (, )
|
6
|
6
|
6
|
Parent symmetry
:
|
|
|
|
|
1
|
; , ; ,
|
2
|
1
|
1
|
E
|
|
|
|
3
|
; ,
|
3
|
3
|
3
|
(La)
|
|
|
|
1
|
(, ); (, ), (, )
|
6
|
6
|
6
|
Parent symmetry
:
|
|
|
|
|
1
|
, , ,
|
2
|
1
|
0
|
|
|
|
|
1
|
; , ; ,
|
2
|
1
|
0
|
|
|
|
|
1
|
|
2
|
1
|
2
|
|
|
|
|
3
|
,
|
3
|
3
|
0
|
(La)
|
|
|
|
1
|
(, ), (, )
|
6
|
6
|
0
|
|
|
|
|
3
|
|
6
|
3
|
6
|
|
|
|
|
3
|
|
6
|
3
|
6
|
|
|
|
|
1
|
(, )
|
12
|
6
|
12
|
R
-irep
|
Standard variables
|
Ferroic symmetry
|
Principal tensor parameters
|
Domain states
|
|
|
|
|
|
Parent symmetry
:
|
B
|
|
|
|
1
|
,
|
2
|
1
|
1
|
|
|
|
|
1
|
(, )
|
3
|
3
|
1
|
(La, Li)
|
|
|
|
|
|
|
|
|
|
|
|
|
1
|
(,)
|
6
|
6
|
6
|
(Li)
|
|
|
|
|
(, )
|
|
|
|
Parent symmetry
:
|
|
|
|
|
1
|
;
|
2
|
1
|
2
|
|
|
|
|
1
|
(, )
|
3
|
3
|
3
|
(La)
|
|
|
|
|
(, )
|
|
|
|
|
|
|
|
1
|
(, )
|
6
|
6
|
6
|
Parent symmetry
:
|
|
|
|
|
1
|
,
|
2
|
1
|
0
|
|
|
|
|
1
|
;
|
2
|
1
|
2
|
|
|
|
|
1
|
,
|
2
|
1
|
0
|
|
|
|
|
1
|
(, )
|
3
|
3
|
0
|
(La)
|
|
|
|
|
|
|
|
|
|
|
|
|
1
|
(, )
|
6
|
6
|
0
|
|
|
|
|
1
|
(, ) ,
|
6
|
3
|
2
|
|
|
|
|
|
(, ) ,
|
|
|
|
|
|
|
|
|
(, ) ,
|
|
|
|
|
|
|
|
1
|
(, )
|
6
|
3
|
6
|
Parent symmetry
:
|
|
|
|
|
1
|
|
2
|
1
|
2
|
|
|
|
|
1
|
|
2
|
1
|
0
|
|
|
|
|
1
|
|
2
|
1
|
0
|
|
|
|
|
3
|
|
3
|
3
|
0
|
(La, Li)
|
|
|
|
1
|
(, )
|
6
|
6
|
2
|
|
|
|
|
3
|
;
|
6
|
6
|
6
|
|
|
|
|
3
|
;
|
6
|
6
|
6
|
(Li)
|
|
|
|
1
|
(, ); (,
|
12
|
12
|
12
|
Parent symmetry
:
|
|
|
|
|
1
|
; , ;
|
2
|
1
|
1
|
|
|
|
|
1
|
|
2
|
1
|
1
|
|
|
|
|
1
|
|
2
|
1
|
1
|
|
|
|
|
3
|
|
3
|
3
|
1
|
(La)
|
|
|
|
1
|
(, )
|
6
|
6
|
1
|
|
|
|
|
3
|
;
|
6
|
6
|
6
|
|
|
|
|
3
|
;
|
6
|
6
|
6
|
|
|
|
|
1
|
(, ); (, )
|
12
|
12
|
12
|
Parent symmetry
:
|
|
|
|
|
1
|
|
2
|
1
|
0
|
|
|
|
|
1
|
; , ;
|
2
|
1
|
0
|
|
|
|
|
1
|
|
2
|
1
|
2
|
|
|
|
|
3
|
;
|
3
|
3
|
3
|
(La)
|
|
|
|
1
|
(,); (, )
|
6
|
6
|
6
|
|
|
|
|
3
|
|
6
|
6
|
3
|
|
|
|
|
3
|
|
6
|
6
|
6
|
|
|
|
|
1
|
(, )
|
12
|
12
|
12
|
Parent symmetry
:
|
|
|
|
|
1
|
|
2
|
1
|
0
|
|
|
|
|
1
|
|
2
|
1
|
2
|
|
|
|
|
1
|
; , ;
|
2
|
1
|
0
|
|
|
|
|
3
|
;
|
3
|
3
|
3
|
(La)
|
|
|
|
1
|
(, ); (, )
|
6
|
6
|
6
|
|
|
|
|
3
|
|
6
|
6
|
6
|
|
|
|
|
3
|
|
6
|
6
|
3
|
|
|
|
|
1
|
(, )
|
12
|
12
|
12
|
Parent symmetry
:
|
|
|
|
|
1
|
, ,
|
2
|
1
|
0
|
|
|
|
|
1
|
|
2
|
1
|
0
|
|
|
|
|
1
|
|
2
|
1
|
0
|
|
|
|
|
1
|
; , ;
|
2
|
1
|
0
|
|
|
|
|
1
|
|
2
|
1
|
2
|
|
|
|
|
1
|
|
2
|
1
|
0
|
|
|
|
|
1
|
|
2
|
1
|
0
|
|
|
|
|
3
|
|
3
|
3
|
0
|
(La)
|
|
|
|
1
|
(, )
|
6
|
6
|
0
|
|
|
|
|
3
|
|
6
|
6
|
0
|
|
|
|
|
3
|
|
6
|
6
|
0
|
|
|
|
|
1
|
(, )
|
12
|
12
|
0
|
|
|
|
|
3
|
|
6
|
3
|
6
|
|
|
|
|
3
|
|
6
|
3
|
6
|
|
|
|
|
1
|
(, )
|
12
|
6
|
12
|
|
|
|
|
3
|
; ,
|
6
|
3
|
0
|
|
|
|
|
3
|
: ,
|
6
|
3
|
2
|
|
|
|
|
1
|
(, ); ,
|
12
|
6
|
2
|
R
-irep
|
Standard variables
|
Ferroic symmetry
|
Principal tensor parameters
|
Domain states
|
|
|
|
|
|
Parent symmetry
:
|
E
|
|
|
|
1
|
[,
|
3
|
3
|
0
|
(La)
|
|
|
|
|
|
|
|
|
T
|
|
|
|
3
|
;
|
6
|
6
|
6
|
|
|
|
|
4
|
;
|
4
|
4
|
4
|
(La, Li)
|
|
|
|
1
|
(, , ); (, , )
|
12
|
12
|
12
|
Parent symmetry
:
|
|
|
|
T
|
1
|
; ;
|
2
|
1
|
0
|
|
|
|
|
1
|
[,
|
3
|
3
|
0
|
(La)
|
|
|
|
|
|
|
|
|
|
|
|
|
1
|
[,
|
6
|
3
|
0
|
|
|
|
|
|
|
|
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|
|
[, ]
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
3
|
|
6
|
6
|
0
|
|
|
|
|
4
|
|
4
|
4
|
0
|
(La)
|
|
|
|
1
|
(, , )
|
12
|
12
|
0
|
|
|
|
|
3
|
|
6
|
3
|
6
|
|
|
|
|
4
|
|
8
|
4
|
8
|
|
|
|
|
1
|
(, , )
|
24
|
12
|
24
|
Parent symmetry
:
|
|
|
|
T
|
1
|
|
2
|
1
|
0
|
E
|
|
|
|
3
|
|
3
|
3
|
0
|
(La)
|
|
|
|
1
|
,
|
6
|
6
|
0
|
|
|
|
|
|
|
|
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|
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|
|
|
3
|
|
6
|
3
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6
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|
|
|
|
6
|
|
12
|
12
|
12
|
|
|
|
|
4
|
|
8
|
4
|
8
|
(Li)
|
|
|
|
1
|
(, , )
|
24
|
24
|
24
|
|
|
|
|
3
|
|
6
|
6
|
0
|
|
|
|
|
6
|
,
|
12
|
12
|
12
|
|
|
|
|
4
|
|
4
|
4
|
0
|
(La, Li)
|
|
|
|
1
|
(, , )
|
24
|
24
|
24
|
Parent symmetry
:
|
|
|
|
T
|
1
|
;
|
2
|
1
|
0
|
|
|
|
|
|
;
|
|
|
|
E
|
|
|
|
3
|
|
3
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3
|
0
|
(La)
|
|
|
|
1
|
[,
|
6
|
6
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0
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3
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; ,
|
6
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3
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0
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6
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|
12
|
12
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12
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|
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,
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,
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4
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8
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4
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4
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1
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(, , )
|
24
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24
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24
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(, , )
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(, , )
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3
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;
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6
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6
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6
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6
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, ; ,
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12
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12
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12
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4
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;
|
4
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4
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4
|
(La)
|
|
|
|
1
|
(, , ); (, , )
|
24
|
24
|
24
|
Parent symmetry
:
|
|
|
|
|
1
|
;
|
2
|
1
|
0
|
|
|
|
O
|
1
|
; ;
|
2
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1
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0
|
|
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1
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2
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1
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0
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3
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3
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3
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0
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(La)
|
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1
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,
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6
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6
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0
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3
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, ;
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12
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3
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0
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3
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;
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6
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3
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0
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1
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[,
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12
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6
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0
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3
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, ,
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6
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3
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6
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,
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12
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12
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0
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,
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,
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,
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1
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(, , )
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24
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24
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0
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(, , )
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(, , )
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3
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6
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6
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6
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,
|
24
|
12
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12
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|
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|
4
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|
4
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4
|
0
|
(La)
|
|
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|
1
|
(, , )
|
24
|
24
|
0
|
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3
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6
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3
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6
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3
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,
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24
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12
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24
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6
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6
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12
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6
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,
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24
|
12
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24
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4
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|
8
|
4
|
8
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|
|
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|
1
|
(, , )
|
48
|
24
|
48
|
|
|
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|
3
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; ,
|
6
|
3
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0
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|
3
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, ; , , ,
|
24
|
12
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24
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, , ,
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|
6
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; ,
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12
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6
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12
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,
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|
6
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, ; ,
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24
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12
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12
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,
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,
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4
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;
|
8
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4
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|
1
|
(, , )
|
48
|
24
|
48
|
|
|
|
|
|
(, , )
|
|
|
|
|
|
|
|
|
(, , )
|
|
|
|
|
G
|
|
|
Proper or improper
|
Domain states
|
Full or partial
|
Ferroelectric
|
Ferroelastic
|
|
|
|
Ferroelectric
|
Ferroelastic
|
432
|
|
|
proper
|
improper
|
12
|
12
|
12
|
full
|
full
|
|
improper
|
proper
|
|
1
|
improper
|
improper
|
24
|
24
|
24
|
full
|
full
|
|
proper
|
proper
|
|
|
|
improper
|
improper
|
12
|
12
|
12
|
full
|
full
|
|
proper
|
proper
|
|
1
|
improper
|
improper
|
24
|
24
|
24
|
full
|
full
|
|
proper
|
proper
|
|
|
|
non
|
improper
|
12
|
0
|
12
|
non
|
full
|
|
non
|
proper
|
|
|
non
|
improper
|
24
|
0
|
24
|
non
|
full
|
|
non
|
proper
|
|
|
proper
|
improper
|
12
|
12
|
6
|
full
|
partial
|
|
improper
|
improper
|
|
|
proper
|
improper
|
24
|
24
|
12
|
full
|
partial
|
|
improper
|
improper
|
|
1
|
proper
|
improper
|
48
|
48
|
24
|
full
|
partial
|
|
improper
|
improper
|
|
If for a given symmetry descent no appropriate R-irep exists in Table 3.1.3.1, then the primary order parameter transforms according to a reducible representation of G. These transitions are always discontinuous and can be accomplished with several reducible representations. Some symmetry descents can be associated with an irreducible representation and with several reducible representations. All these transitions are treated in the software GIKoBo-1 and in Kopský (2001). All point-group symmetry descents are listed in Table 3.4.2.7
and can be traced in lattices of subgroups (see Figs. 3.1.3.1 and 3.1.3.2).
The solution of the inverse Landau problem – i.e. the identification of the representation relevant to symmetry descent – enables one to determine the corresponding nomal mode (so-called soft mode) of the transition (see e.g. Rousseau et al., 1981). We note that this step requires additional knowledge of the crystal structure, whereas other conclusions of the analysis hold for any crystal structure with a given symmetry descent . Normal-mode determination reveals the dynamic microscopic nature of the instability of the crystal lattice which leads to the phase transition (for more details and examples, see Section 3.1.5).
The representation further determines the principal tensor parameters associated with the primary order parameter . If one of them is a vector (polarization) the soft mode is infrared-active in the parent phase; if it is a symmetric second-rank tensor (spontaneous strain), the soft mode is Raman active in this phase. Furthermore, the R-irep determines the polynomial in components of in the Landau free energy (basic invariant polynomials, called integrity bases, are available in the software GIKoBo-1 and in Kopský, 2001) and allows one to decide whether the necessary conditions of continuity of the transition (so-called Landau and Lifshitz conditions) are fulfilled.
-
(2) Direct Landau problem of equitranslational phase transitions: For a given space group of the parent phase and the R-irep (specifying the transformation properties of the primary order parameter ), find the corresponding equitranslational space group of the ferroic phase. To solve this task, one first finds in Table 3.1.3.1 the point group F that corresponds to point group G of space group and to the given R-irep . The point-group symmetry descent thus obtained specifies uniquely the equitranslational subgroup of that can be found in the lattices of equitranslational subgroups of space groups available in the software GIKoBo-1 (see Section 3.1.6).
-
(3) Secondary tensor parameters of an equitranslational phase transition . These parameters are specified by the representation of G associated with a symmetry descent , where L is an intermediate group [see equation (3.1.3.1)]. In other words, the secondary tensor parameters of the transition are identical with principal tensor parameters of the transition . To each intermediate group L there corresponds a set of secondary tensor parameters. All intermediate subgroups of a symmetry descent can be deduced from lattices of subgroups in Figs. 3.1.3.1 and 3.1.3.2.
The representation specifies transformation properties of the secondary tensor parameter and thus determines e.g its infrared and Raman activity in the parent phase and enables one to make a mode analysis. Representation together with determine the coupling between secondary and primary tensor parameters. The explicit form of these faint interactions (Aizu, 1973; Kopský, 1979d) can be found in the software GIKoBo-1 and in Kopský (2001).
-
(4) Changes of property tensors at a ferroic phase transition. These changes are described by tensor parameters that depend only on the point-group-symmetry descent . This means that the same principal tensor parameters and secondary tensor parameters appear in all equitranslational and in all non-equitranslational transitions with the same . The only difference is that in non-equitranslational ferroic phase transitions a principal tensor parameter corresponds to a secondary ferroic order parameter. It still plays a leading role in tensor distinction of domains, since it exhibits different values in any two ferroic domain states (see Section 3.4.2.3
). Changes of property tensors at ferroic phase transitions are treated in detail in the software GIKoBo-1 and in Kopský (2001).
|