h l si lj sj 2 ijsi sj i j dm interaction:2nd order
TRANSCRIPT
VJ jijiijjjiiji ++=×-×+×++= HHHHH SSSLSL 2ll
nmjmin =jj
!+-
+-
+= ååm jmjn ini
ji EEVm
mEE
Vnn
00
0000
000000jj
!+-
+-
+= ååm iimn iin
jiji EEVmmV
EEVnnV
VV00
000000000000jjjj
å
å
-
×-×+××-×+×+
-
×-×+××-×+×+»
m iim
jiijjjiijiijjjii
n iin
jiijjjiijiijjjii
EEJmmJ
EEJnnJ
V
0
0
00200200
00200200
SSSLSLSSSLSL
SSSLSLSSSLSL
llll
llll
jiijjjiijiijjjii nJnnnJ SSSLSLSSSLSL ×-×+×=×-×+× 02000000000200 llll
{ }{ } jiijjzjzjyjyjxjx
iziziyiyixix
nJSnLSnLSnL
SnLSnLSnL
SS ×-+++
++=
0200000000000
000000000
l
l
jiijjjii nJnn SSSLSL ×-×+×= 0200000000 ll
DM interaction:2nd order perturbation theory
!+-
+-
+= ååm jmjn ini
jiji EEVmmV
EEVnnV
VV00
000000000000jjjj
[ ][ ]
[ ][ ]å
å
-
×-×+××-×+×+
-
×-×+××-×+×+»
m jmj
jiijjjiijiijjjii
n ini
jiijjjiijiijjjii
EEJmmmmJmm
EEJnnnnJnn
V
0
0
00020000000002000000
00020000000002000000
SSSLSLSSSLSL
SSSLSLSSSLSL
llll
llll
( ) ( ) ( ) ( ) ( ) 2110212
2
2010 **0,00000 rrrrrr ddrenJnJ jinjiij jjjjòò==
( ) ( )[ ] ( ) ( )[ ] !+××-
-××-
-= ååm
jiijjmjn
jiiiini
mEEmJn
EEnJV SSSLSSSL ,000,02,00,002
00
ll
( )[ ] ( )[ ]
( )[ ] ( )[ ]å
å
-
×-××-×+
-
×-××-×+»
m jmj
jijjjijj
n ini
jiiijiii
EEmJmmJm
EEnJnnJn
V
0
0
00,0200,0020
00,0200,0020
SSSLSSSL
SSSLSSSL
ll
ll
( )[ ] ( ) ( ) ijijiijii SSSSSSSSS ×-×=×,
( ) ( ) ijzizjyiyjxixjzizjyiyjxixi SSSSSSSSSSSS SS ++-++=
[ ] [ ]{ } [ ] [ ]{ } [ ] [ ]{ } zjyiziyjxixizyjxiyixjziziyxjzixizjyiyix SSSSSSSSSSSSSSSSSS eee ,,,,,, -+-+-=
( ) ( ) ( ) zjyixjxiyyjxizjzixxjziyjyiz SSSSiSSSSiSSSSi eee -+-+-=
jii SS ´-=
( ) ( )[ ] ( ) ( )[ ]
( ) ( ) [ ]jim
jjmjn
iini
mjiij
jmjnjiii
ini
mEE
mJnEEnJi
mEEmJn
EEnJ
SSLL
SSSLSSSL
´×úúû
ù
êêë
é
--
-=
××-
-××-
-
åå
åå
000,000,002
,0000,02,00,002
00
00
l
ll
[ ]ji SSD ´×=
Parasitic ferromagnetism of α-Fe2O3(hematite)explained by DM interaction
945 K以下: antiferromagnetism260-945 K: ferromagnetism appears in AF phase
( parasitic ferromagnetism )[ ] 02
,,<´×+×-= åå JJ
jiji
jiji SSDSSH
( ) qqq sincos2 22 SSJE D--=
Canting angle of spins
qp -
JD2
tan =q
ji SSD ´- //
4. Molecular field thoery
å å><
-×-=ji i
izBjiij SHgJH,
2 µSSå><
×-=ji
jiijJH,
2 SS
Temperature dependence of magnetization
magnetic susceptibility specific heat
å å><
-×-=ji i
izBjiij SHgJH,
2 µSS
å><
×-=ji
jiijJH,
2 SS
4.1 Heisenberg model
(4.1)
(4.2)
Hamiltonian of magnetic material
( )H,0,0=H
・no magnetic anisotropy, but z-axis is easy axis
HSgg zBB µµ =×=×- HSHμ HSg zBµ-
:external field
:pair of nearest neighbor lattice pointsji,
・sign of spin
Hereafter, S: spin magnetic moment
Equation of (4.1) or (4.2) cannot be solved exactly.
iS:total spin of a atom at i-th lattice point
Heisenberg model Ising model @S=1/2
4.2 Molecular field theory - finite temperature
( ) å -×-= +k
izBkii HSgJiH µSS2 (4.3)
Consider iʼth spin
・Sum of k is from one to the number of the nearest neighbor atoms.・Exchange integrals of the nearest neighbor spins are assumed to be equal.
◆Weissʼs molecular field theorySpin around is replaced by the averaged value.iSki+S
zzkiykixki SSSS === +++ ,0
( ) izBizz HSgSSzJiH µ--= 2 ( ) izBz SHgSzJ µ+-= 2
( ) åå -==i
izzi
SSzJiHH 2
(4.4)
( ) ( )åå +-==i
izBzi
SHgSzJiHH µ2
Z(i) of iʼth spin,
( ) ( )å-=
úû
ùêë
é+=
S
Si B
izBz Tk
SHgSzJiZ µ2exp
[ ] ( ) ( ) ASSASAASS
Siiz eeeeAS ----
-=
+++== å 11exp !Tk
HgSzJA
B
Bz µ+=2
( )
TkHgSzJ
STk
HgSzJ
iZ
B
Bz
B
Bz
22
sinh
212
sinh
µ
µ
+
úû
ùêë
é÷øö
çèæ +
+
=
Total magnetic momentN:total number of magnetic atomszB SNgM µ=
{ }ASAAAS eeee 221 ++++= -!
( )
A
SAAS
eee-
-=
+-
11 12
( ) ( )
2/2/
2/12/1
AA
SASA
eeee-
+-+
--
=A
AS
21sinh
21sinh ÷øö
çèæ +
=
(4.5)
(4.6)
(4.7)
◆Temperature dependence of magnetization( )
( )iZ
eSS
S
Si
TkiH
iz
z
Bå-=
-
=
TkHgSzJ
AB
Bz µ+=2
( )( )
ååå-=-=
+
-=
-
===S
Si
ASS
Si
STk
HgSzJS
Si
TkiH
iziz
B
Bz
B eeeiZµ2
( ) å-=
=¶¶ S
Si
ASiz
izeSAiZ
( )( )AiZ
iZSz ¶
¶=1
( )22
21
21
AA
SASA
ee
eeiZ-
÷øö
çèæ +-÷
øö
çèæ +
-
-=
úúú
û
ù
êêê
ë
é
-
-¶¶
-
-=
-
÷øö
çèæ +-÷
øö
çèæ +
÷øö
çèæ +-÷
øö
çèæ +
-
22
21
21
21
21
22
AA
SASA
SASA
AA
ee
eeA
ee
ee
2
22
21
21
222221
21
21
21
22 21
21
÷÷ø
öççè
æ-
÷÷ø
öççè
æ-÷÷
ø
öççè
æ+-÷÷
ø
öççè
æ-÷
÷ø
öççè
æ+÷
øö
çèæ +
-
-=
-
÷øö
çèæ +-÷
øö
çèæ +--÷
øö
çèæ +-÷
øö
çèæ +
÷øö
çèæ +-÷
øö
çèæ +
-
AA
SASAAAAASASA
SASA
AA
ee
eeeeeeeeS
ee
ee
22
22
21
21
21
21
21
212
AA
AA
SASA
SASA
ee
ee
ee
eeS-
-
÷øö
çèæ +-÷
øö
çèæ +
÷øö
çèæ +-÷
øö
çèæ +
-
+-
-
++=
2coth21
21coth
212 ASAS
-úû
ùêë
é÷øö
çèæ +
+=
TkSHgSzJS
ASxB
Bz µ+==2
úû
ùêë
é-÷øö
çèæ ++
=Sx
Sx
SS
SSSSz 2
coth21
212coth
212
( )xSBS=
( )Sx
Sx
SS
SSxBS 2
coth21
212coth
212
-÷øö
çèæ ++
= Brillouin function
[ ] ( ) xxxxB tanhcoth2coth221 =-=
[ ] ( ) SxSx
SxSx
SS eeee
SxxB 2/2/
2/2/
21limcoth -
-
¥®¥® -+
-= ( )11
21limcoth /
/
-+
-=¥® Sx
Sx
S ee
Sx
( ) ( )( ) !
!
+++++
-=¥® 2///
2///221limcoth 2
2
SxSxSxSx
Sx
S
( ) ( )!
!
+++++
-=¥® Sxx
SxSxxS 2/
2///221limcoth 2
2
( )x
x 1coth -= Langevin function( )xL=
(4.8)
→ Ising model
(4.9)
(4.10)
(4.11)
Brillouin function
●H=0,<Sz> is sufficiently small, Magnetization around transition T
!+-+=®<<453
1coth13xx
xxx
[ ]úúú
û
ù
êêê
ë
é
÷øö
çèæ-+-
úúú
û
ù
êêê
ë
é
÷øö
çèæ +
-+
++
+»
33
2451
231
2
121
212
451
212
31
2121
212
Sx
Sx
SxS
xSSx
SS
xSSS
SxBS
34
3422
21
451
212
451
21
31
212
31 x
Sx
SSx
Sx
SS
÷øö
çèæ+÷
øö
çèæ +
-÷øö
çèæ-÷
øö
çèæ +
=
úúû
ù
êêë
é÷øö
çèæ+÷
øö
çèæ +
úû
ùêë
é÷øö
çèæ+÷
øö
çèæ +
úû
ùêë
é÷øö
çèæ-÷
øö
çèæ +
-+
=223
21
212
21
212
21
212
4531
SSS
SSS
SSSxx
SS
2
23
21221
4531
SSS
SSxx
SS +++
-+
= ( ) ( )[ ] 33
22
9011
31 x
SSSSx
SS +++
-+
=
122
<<=+
=TkSzJS
TkSHgSzJS
xB
z
B
Bz µ
(4.12)
( ) ( )[ ] 33
22
9011
31 x
SSSSx
SS +++
-+
=( )xSBS Sz =
( ) ( )[ ] 3
3
22 290112
31
÷÷ø
öççè
æ+++-
+=
TkSzJS
SSSS
TkSzJS
SS
B
z
B
z
( ) ( )[ ]( )
zB
BBz ST
kJSzS
zJk
zJTk
SSSSS ÷÷
ø
öççè
æ-
+÷øö
çèæ
+++=
312
21145 2
223 (4.13)
0=zS
( )B
C kJSzST
312 +
= (4.14) Curie temperature
From eq(4.13)
◆CTT ³
CTT £◆ ( )( )[ ] C
C
Cz T
TTTT
SSSSS -
÷÷ø
öççè
æ
+++
=2
22
222
11
3100=zS
( )( )
( )( ) C
C
C
C
Cz T
TT
SS
SSTTT
TT
SS
SSS -
++
+±»
-÷÷ø
öççè
æ
++
+±=
2222 1
1310
1
1310
● T 〜TC
(4.15)
zB SNgM µ=Magnetization vanishes at Tc
( ) !+-=®>> - SxS e
SxBx /111
CTT <<●
(4.16)
0»T ( ) !+-==-
TkzJS
SzBeSxSBS2
(4.17)
0@ == TSNgM Bµ Magnetization is saturated.
◆ at arbitrary TzS
( )xBSS
Sz =
TkSzJS
xB
z2= x
zJSTk
SS Bz
22=
( )xBSS
Sz =
xzJSTk
SS Bz
22=
xzJSTk
SS CBz
22=
Temperature dependence of magnetization
zB SNgM µ=
P:free energy minimum pointO:free energy maximum point
◆ Temperature dependence of susceptibility
TkSHgSzJS
xB
Bz µ+=2
0=÷øö
çè涶
=HH
Mc
0=÷÷ø
öççè
涶
=H
zB H
SNgµ
(4.18) susceptibility
( )Hx
dxxdBSNg S
B ¶¶
= µc
TkSg
HS
TkzJS
Hx
B
B
H
z
B
µ+÷÷
ø
öççè
涶
=¶¶
=0
2
(4.19)
( )÷÷ø
öççè
æ+=
TkSg
NgTkzJS
dxxdBSNg
B
B
BB
SB
µµcµ 2
( ) ( )
( )dxxdBzJSTk
dxxdBSgN
SB
SB
2
2
2-=
µc (4.20)
0=zS◆CTT ³
CTT £◆
( )( )
SSzJSTkS
SSgNTT
B
B
C
312
31
2
2
+-
+
=³µ
c
From (4.12) ( ) ( ) ( )[ ] 33
22
9011
31 x
SSSSx
SSxBS
+++-
+=
( )S
SBS 310' +
=
( ) ( )CB
B
TTkSSgN
-+
=1
312µ (4.21)
( ) ( ) ( )[ ] 23
22
3011
31' x
SSSS
SSxBS
+++-
+=
( ) ( )[ ] 2
3
22 23011
31
÷÷ø
öççè
æ+++-
+=
TkSzJS
SSSS
SS
B
z
( )( ) C
Cz T
TT
SS
SSS -
++
+»
221
1310Around TC
From (4.15)
( ) ( ) ( )[ ] ( )( ) ÷÷
ø
öççè
æ-
+++
÷÷ø
öççè
æ+++-
+=
CBS T
TSS
SSTkzJS
SSSS
SSxB 1
11
3102
3011
31'
22
222
3
22
÷÷ø
öççè
æ -÷øö
çèæ+
-+
=C
CC
TTT
TT
SS
SS 2131
( )( ) ( )
( )dxxdBzJSTk
dxxdBSgN
TTS
B
SB
C2
2
2-=£
µc
( ) ( )TTk
SSgN
CB
B
-+
=1
612µ
CT
(4.22)
12 2qq =