発表kek 樹神 提出用pf·š中性子pdf解析による結晶性物質 の局所構造解析...
TRANSCRIPT
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XPDF
1. PDF
2.
Mn3Cu1-xGexN Iikubo et al. PRL (2008)
3
LiMn2O4
3. PDF
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PDF
RDFR(r)
R(r)dr : r dr
drr
R(r)dr : r dr
g(r) r 0 : 024 rrRrg
g(r) r
R(r)
PDF : G(r) 14 0 rgrrG
( )
G(r)
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G(r) ibbQI Q)(
jjiji
i
ibbQI rrQexp)(
drQr
QrrgrNb )sin(41 022
N : b : Xf(Q)
drQrQrrdr
QrQrrgrNb )sin(4)sin(141 0
20
22
drQrrgrQIQS )sin(141)()( 0
22 Structure function :
drQrrgrNbQS 141)( 02 Structure function :
2 14 0 rgrrG
dQQrQSQrG )sin(1)(2)(
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PDF
dQQQSQG )i (1)(2)( Q
dQQrQSQrG )sin(1)(2)(
Q
Q Q
15
20
25BiMnO
3
Q)
Structure function
QQ>2030-1
Q
0
5
10S(Q Q
Qdd 2:sin2 14
sin Q
0 10 20 30
Q (A-1)
X
X Q 30-10.4
TOFPDF
2
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PDFJ-PARC XSPring-8
iMATERIABL20NOVABL21 BL14B1
KEK JAEA
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PDF
r() r()
RietveldPDF
PDF
S(Q)
PDF
Q
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Mn3Cu1-xGexN Cu or Ge
N
Mn x0.5
x0.15
K. Takenaka and H. Takagi : APL (2005) K. Takenaka and H. Takagi : APL (2009)
Fe64Ni36 Fe64Ni36
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JRR 3 HRPD&TAS2Iikubo et al. PRB (2008)
cubic Para
700
600
JRR-3 HRPD&TAS2x
1. cubic
x=0.7
x=0.5cubic
cubic, Para
T-F m
agne
ti500400
300T (K
)
x=0.15cubic, 5gAF
Ferromagnetic
T4,
Ferri
mc
200
100
0
AF0
1.00.80.60.40.20.0x
2.5g
2.3B
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Mn3Cu1-xGexNMn Cu Ge NPDF
Iikubo et al. PRL 101 (2008)
(Cu or Ge)
Mn3Cu0.5Ge0.5NPDF
(Cu or Ge)
NLANSCENPDFMn
LANSCENPDF
Mn-N Mn-MnMn-(Cu, Ge)
Mn6N Mn MnMn (Cu, Ge)
Mn-N Mn-N Mn-Cu,Ge
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Mn6N
Mn3GeN (x=1.0)Mn6N tetragonal
xcubic
Mn6N
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x
Mn3dN2p MnN MnN
x
PDF
PDF
x
x
x
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LiMn2O4 LiMn2O4 Li
cubic Fd-3mLi, Mn, O, ,
Mn+3.5
Mn3d
Sugiyama et al.
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LiMn2O4
Mn3+, Mn4+
,
PDF
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J-PARCNOVABL21
90Rietveld
cubiccubicFd-3m
60
80 observedfi i f Fd 4
0
20
40
60 fitting for Fd-4m diff
-2)PDF
-60
-40
-20
0
G(r
) (A
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1 2 3 4 5
-80
r (A)
1.4 < r < 10Rwp=16.0%
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Mn3+, Mn4+orthorhombic : Fdddorthorhombic : Fddd
80observed
orthorhombic : Fddd80
observed
cubic : Fd-3m
20
40
60 fitting for Fddd diff
2)
20
40
60 fitting for Fd-4m diff
2)
-40
-20
0
G(r
) (A
-2
-40
-20
0
G(r
) (A
-2
1 2 3 4 5
-80
-60
1 2 3 4 5
-80
-60
r (A)
Rwp=8.6%r (A)
Rwp=16.0%
Mn3+ Mn4+Mn1-O : 1.986A Mn4-O : 1.895A
Mn-O
Mn3+Mn4+Mn2-O : 2.000A Mn5-O : 1.920AMn3-O : 2.013A
Mn Mn Mn3d
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20boxcar refinement Qiu et al.20boxcar refinement
r cubicFd-3m20
40
60
Qiu et al.
cubicFd 3m
-20
0
20
G(r
) (A
-2)
r
r :
60
80
observed fitting for Fd-3mfitti f Fddd
40 observed fitting for Fd-3m
-20
0
20
40
fitting for Fddd
) (A
-2)
0
20
fitting for Fddd
r) (
A-2)
-80
-60
-40
20
G(r
)
60 62 64 66 68 0-40
-20
G(r
2 4 6 8 10
r (A)60 62 64 66 68 70
r (A)
rmax
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Mn-Ormaxorthorhombic: Fdddorthorhombic: Fddd
Mn-O
rmax150Mn-OMn3.5+
rmax150cubic
Preliminary150
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PDF1. Mn3Cu1-xGexN
Mn6NM N Mn6N
2 LiM O
Iikubo et al. PRL 101 (2008)
2. LiMn2O4 Mn3+Mn4+
d Mn3d
150
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PDF PDF
1 PDF31. PDF3
2.
3. PDF