XAFS

XAFS2070

XAFS

XAFS

XAFS
XAFS

XXAFS
1 XAFS
1. X
2. XAFS
2 XAFS
1.
2. 1W1B-XAFS
3. XAFS
4. LYTLE
5.
6.
7. XAFS
3 XAFS
1. EXAFS (k)
2.
3. XANES
4. XAFS
4 XAFS

1 XAFS

X
X
X
hv
E0

E hv E0

X
EXI0t
I

ZAXE
Z
EE
Victoreen

K,L

( ) C3 D4

X
X
X
X
X

X
X

2keVXX

E log I 0 / I

E I f / I 0
X

(E)X(E)

XAFS

(E)
X
XAFS
1000eV
EXAFS

EXAFSFe
FeOFe2SO4 EXAFS

Fe
EXAFSFe
( ) C3 D4

EXAFS

EXAFS

XAFS
,X
X


XANES
50eV

EXAFS50eV
1000eV

EXAFS(E)

E 0 E
E
0 E

(E)0(E)

0E0
(E)
EXAFS
Xk

2 m E E 0
2

EXAFS(E)(k)

XAFS
EXAFS
E
XE0

E h E 0

h
p

p2
h E0
2m

XAFS
Extended X-ray Absorption Fine Structure Spectroscopy (EXAFS

X-ray
photon

electrons

XAFS

( E ) | i | | f |2

<i|X
|f>X
H

|f>f0,
|f> :

| f | f 0 | f
XAFS

( E ) i | | f
XAFS

XAFS
(E)
1.2-5
(E)XAFS

EXAFS
R, (k )

(k )

F (k )
2

kR

sin[2kR (k )]

F(k)
NR

(k)
F(k)(k)k
Zf(k)(k)
EXAFSZ5

e 2 k

1
2XAFS
RRR2
Debye-Walker

(k )

N F ( k )e
2

kR

2 k 2 2

sin[2kR ( k )]

EXAFS

(K )

N j F j ( K )e

KR

2 K 2 2j

2
j

Sin[2 KR j j ( K )]

j
Z
0.05

530
K EXAFS

k
j

N je

2 k 2 2j

2 R j / k

kR

2
j

f j k

sin 2kR j j k

S 0
2
2
S 0 0.7< S 0 <1.0
N
S 02

EXAFS

k
j

2
0

N jS e

2 k 2 2j

2 R j / k

kR

2
j

f j k

sin 2kR j j k

EXAFS

 (K )

2
0

N j S F j ( K )e

2 R j / ( K )

KR

2
j

2 K 2 2j

Sin[2 KR j j ( K )]

1EXAFSf(k)(k)

NR2
EXAFS
2(k)R-2EXAFS
5

3EXAFS

EXAFS


EXAFSNR2
f(k)(k)
EXAFS
EXAFS
EXAFSf(k)(k)
f(k)
(k)

10FEFFGNXASEXCURVE
f(k)(k)

2 XAFS

XAFS
XAFS
KL

E E

1.
2.
3.

XAFS:
X(+)
X

KeVX

: ( Photon/s/mrad2/0.1%b.w.)
2

d Fbm ( y )
1327
.
1013 E 2 [GeV ] I [ A] H2 ( y ) ,
d d 0

(1)

2.5 GeV, 250mA

1E12

2.2 GeV,100mA

-2

Iradiance [ph/s/mm /0.1%bw]

1.89GeV,910mA

1E13

1E11
1E10
1E9

Bending Magnet
Z=1m, x=y=0

1E8
1E7
10

100

1000

Energy (eV)

10000


X
XdX
XAFSX

n 2d Sin
I

IC0IC XAFS
I0 I
I0I

E ln I 0 / I

E E

IC090XAFS
IfX
I0If

E I f / I 0

E E

XAFS10-3(E)XAFS
1011
AXAFS106 A109 A
XAFS
It NIt

1
1

N
I t
XAFS
106

S/B
XAFSXAFS
S/B
S/BXAFS
XAFS

XAFSS/BXAFS
S/B
10

X
ComptonX2.1-2
XAFSIf,

S/B

1W1B-XAFS

1W1B-XAFS .

 1W1BBSRFXAFS

7WIGGLER 1W1

1W1B
HxV1.1 x 0.12 mrad2
:
4 25 keV
:
1-3 10-4 @ 9 keV
:
21012p/s/0.1%BW @ 9 keV; Isr = 100
mA
:
0.9(H) 0.3(V) mm2

IC

IC

IC

428

428

428

BRAGG

V/F

RS232

974

GPIB Bus

BSRF-1W1BXAFS
PC Bragg
PC Bragg
V/FXAFS

iI

V i

F V

Ni ni F (t ) dt
0

tV/F
NiPC

1W1B-XAFS5 10
ASC
1
Bragg

2
I0

3
I

4
If

eVDEC)

hc
En
2d Sin

1.9771
E
Sin

Si (111)

XAFS
1
n 2d Sin

X
2
1525

1W1B-XAFS
4
( E)t 1 1.5
400
5

(eV) (eV) (eV)

S

E0 200

E0 20

5.0 10

XANES

E0 20

E0 + 30

0.25 1.0

EXAFS1

E0 + 30

E0 + 200

1.0

EXAFS2

E0 + 200

E0 + 800

1.0 2.0

EXAFS3

E0 + 800

E0 + 1000

1.0 2.0

31cm
5

20%

1W1B-XAFS
/

1LYTLE

LYTLE

Z-1

XAFS45

E E t
I f I0

4 tot E tot

E 1 e

tot

tot

EfX(E)
XAFS


XAFS
9KeV
20
20LYTLE

XAFS

510

K
Z1LL
KL
LYTLE
36

2
/

Sample
X-ray

X
XAFS

10

SSD

Pulse
Processor(MCA)

0
0

10

Energy (keV)

10

Counts (1000's)

Single Channel Analyzer,SCA

X
SCAX

Fluorescence

Counts (1000's)

Multi Channel Analyzer

LLS
6

HLS

0
0

Energy (keV)

10

19CeCANBERRA
XIA

/X
X

105Hz
XAFS106

GeSi/Li

XAFS1030

FeXANES

Fe

13ppm

GAD
ZnO EXAFS

Zn
100ppm
ZnO EXAFS

100ppmXAFS
XAFS

SSDXAFS
X-ManagerX-Manager

Fe55

105Hz30
X-Manager

X-ManagerXAFSLYTLE
SSD
WinXAFS
19

XAFS

LYTLE


1
XAFS
XAFS-2001000eV
XAFS
2
10
10100ppmLYTLEXAFS100ppm
XAFS
XAFS
3
KLXAFSK
XAFSKKLL
1000eVL3
L2
4
XAFS-2001000eV

XAFS
XAFS
QXAFSXAFS
1min
0.01
0.001106X

absorption

1.04
1.02
1.00
0.98
0.96
0.94
580C

QXAFSXAFS
QXAFS

XAFS
XAFS
ms
Pump-probe,

ps
fs

480C
o
)
T( C

QXAFSBRAGG

312C

150C
7.11

7.14

7.17

7.20

7.23

7.26

7.29

energy (eV)

1W1BXAFS
QXAFS
QXAFS
(FeCuNbSiB)
K

XAFS
XAFS-XAFS/XRFXX
XAFS/XRF

-XAFS/XRF X
KBX
X X
,X 10m1W1BXAFS
X

Toroidal mirror
4000000

60000

Intensity

Intensity

3500000
50000
3000000
40000

2500000

Monolithic polycapillary
half focusing X-ray lens

2000000

30000

1500000
20000
1000000
10000

500000

Double crystal
monochromator

0
-500000
17.22

0
17.24

17.26

17.28

17.30

17.32

17.34

x(mm)

1W1BXAFS
X
71.9 %,
21.4 m,
13.3 mm,
59
X
1W1BXAFS
-XAFS/XRF

XAFS
:
XAFS

:
1).

2).
3).
:
900
5

Anton Paar XRK-900

XAFS

XAFS

1W1BXAFS

10K10K325K

1W1BXAFS
SrF2 K XANES

XMCD

XMCD
XMCD

1W1BXAFSXMCD

3 XAFS

XAFS

EXAFS 50eV 1000eV

UWXAFSIFEFFITWinXASGNXAS

XANES 50eV

IFEFFITWinXAS FEFF8

EXAFS (E )

FeOK

1
X
I0XI
X
X
XAFS (E)

E log I 0 / I / t
glitch

2
(E)KXAFS

Victoreen
()C3D4

0(E0)
XAFS

E00
XAFS

4
EXAFS

E 0 E
E
0 E

0(E)0(E)
(E)EXAFS0(E)

0(E)
(E)
EXAFSE

5
EXAFS
k
2 m E E 0
k
2

EXAFS
EK

E0E0
E0(E)

6
KK
K

K2K3
K

7
(k ) j j (k ) (k ) Rj
EXAFSKR
(R) R
)
(k ) (R

(k)
(R) a
,b
FeOFeOFeEe
FeOFeO2.141.6
-0.5


FeO

Rj

Rj (k )
Rj

E 0 E
0 E

(k )

(R )

K
k

2 m E E 0
2

(K )
j

2
0

N j S F j ( K )e

2 R j / ( K )

KR

2
j

2 K 2 2j

Sin[2 KR j j ( K )]

**

 FeOFeOFeFe NR2
FeOEXAFS
EXAFS

j (k )

N j F j ( k )e
kR

2
j

2 k 2 2j

sin[2kR j j ( k )]

FeO
FEFF j (k ) F j (k )
EXAFS
NR2E0 (R ) FeO
j (k )

N 5.8+/-1.8R 2.10+/-0.02 2 0.015+/-0.005 2

E03.1+/-2.5eV

 FeOFeOFeFe
EXAFS 1 2 (k ) FeFeFEFF
FeOFeFeNR26

2 2

E0 (eV)

FeO

6.0(1.0)

2.10(0.02)

0.015(0.003)

-2.1(0.8)

FeFe

11.7(1.3)

3.05(0.02)

0.014(0.002)

-2.1(0.8)

N (2KR) / 2
KRKR
KR3.0 12.0 -11.0 3.0


j (k ) F (k )

NR

F j (k )
j (k )

F (k )
j (k ) F j (k )
j (k )

(k ) F j (k )

NR2
j

FEFF
FEFF
(k ) F j (k ) j (k ) F (k )
NR
2

(E )

XANES
XANESXAFS20eV50eV
EXAFS,
XANES
XANES
XANES
XANES

XANES

/
XANES
XANES

XANES

Cr3+Cr6+XANESCr6+pd
XANES
2p3d
XANES


Fe3+/Fe2+

KXANES
Fe3+/Fe2+

XANES

FeFeKXANESXANES

XANES

XAFS
EXAFS

UWXAFSIFEFFITWinXAS

GNXASIFEFFIT
WinXASEXAFSXANES

ESRFITFA
EXAFSXANES
FEFF8FEFF8
WashingtonAb initioX(XAS)
FEFF8muffin-tinFMSXANES
LDOS
Green

4 XAFS

 XAFS2070
XAFS
XAFS
XAFS

XAFS

XAFS
XAFSXAFS
XAFS

1.
2.

3.
4.

BSRF-XAFS


5000

20000

4000

15000

3000
10000
2000
5000

1000
0

0
0

10

12

14

16

18

10

As-O

4.5

As

4
3.5
3

As-O As-S

2.5
2
1.5

As-S

0.07

0.5
0
0

As

As

(Huang Z C et al Env.Sci.& Tec. In Press)

Co-O

3
R (A)

Tem

per

atu

re (o
C)

39.1
70
96.8
103.4
155.5
200.1

XAFS,
,.
(Dong M et al J. Phys. Chem. A, 2007, 111, 1515)


FT Amplitude /a.u.

Pt-O

(d)

Pt-Pt shell in PtO2

Pt/Fe-Ba/Al2O3-O-500
Pt/Fe-Ba/Al2O3-O-300

Pt-Pt

Pt/Fe-Ba/Al2O3-R

Pt-Fe
0.0

0.1

0.2

0.3

0.4

0.5

0.6

0.7

R /nm

EXAFSFe
Pt/Ba/Al2O3 Pt

Meng M et al.Applied Catalysis B:

Environmental 78 (2008) 38

0.8


[1] Xray Absorption: Principles, Applications, Techniques of EXAFS, SEXAFS, and
XANES, in Chemical Analysis 92, D. C. Koningsberger and R. Prins, ed., John
Wiley & Sons, 1988.
[2] Principles and Applications of EXAFS, Chapter 10 in Handbook of Synchrotron
Radiation, pp 9951014. E. A. Stern and S. M. Heald, E. E. Koch, ed., NorthHolland, 1983.
[3] Elements of Modern X-ray Physics, J. Als-Nielsen and D. McMorrow JohnWiley
& Sons, 2001.
[4] X1994
[5] 2001

XAFS
http://ixs.iit.edu/

http://gbxafs.iit.edu/trining/tutorials.html
http://srs.dl.ac.uk/XRS/courses/
http://leonardo.phys.washington.edu/-ravel/course/

http://www.esrf.fr/computing/scientific/exafs
http://cars9.uchicago.edu/IXS-cgi/XAFS-Programs
http://leonardo.phys.washington.edu/feff

Grant Bunkers tutorials

Tutorial from Daresbury Lab,UK
Bruce Ravels Course on Advanced EXAFS Analysis