We are developing a procedure for the quick identification of structural phases in thin film composition spread experiments which map large fractions of compositional phase diagrams of ternary metallic alloy systems. An in-house scanning x-ray microdiffractometer is used to obtain x-ray spectra from 273 different compositions on a single composition spread library. A cluster analysis software is then used to sort the spectra into groups in order to rapidly discover the distribution of phases on the ternary diagram. The most representative pattern of each group is then compared to a database of known structures to identify known phases. Using this method, the arduous analysis and classification of hundreds of spectra is reduced to a much shorter analysis of only a few spectra.

1.
H.
Koinuma
and
I.
Takeuchi
,
Nat. Mater.
3
,
429
(
2004
).
2.
Combinatorial Materials Synthesis
, edited by
I.
Takeuchi
and
X.-D.
Xiang
(
Dekker
,
New York
,
2003
).
3.
I.
Takeuchi
,
R. B.
van Dover
, and
H.
Koinuma
,
MRS Bull.
27
,
301
(
2002
).
4.
T.
Fukumura
 et al,
Appl. Phys. Lett.
77
,
3426
(
2000
).
5.
I.
Takeuchi
,
W.
Yang
,
K.-S.
Chang
,
M.
Aronova
,
T.
Venkatesan
,
R. D.
Vispute
, and
L. A.
Bendersky
,
J. Appl. Phys.
94
,
7336
(
2003
).
6.
R. B.
van Dover
,
L. F.
Schneemeyer
, and
R. M.
Fleming
,
Nature (London)
392
,
162
(
1998
).
7.
I.
Takeuchi
 et al,
Nat. Mater.
2
,
180
(
2003
).
8.
S.-W.
Cheong
and
H. Y.
Hwang
,
Ferromagnetism vs. Charge/Orbital Ordering in Mixed-Valent Manganites: Colossal Magneto-Resistive Oxides
, edited by
Y.
Tokura
(
Gordon and Breach
,
Amsterdam
,
2000
), p.
237
.
9.
A.
Damascelli
,
Z.
Hussain
, and
Z.-X.
Shen
,
Rev. Mod. Phys.
75
,
473
(
2003
).
10.
M. J.
Turchinskaya
,
L. A.
Bendersky
,
A. J.
Shapiro
,
K. S.
Chang
,
I.
Takeuchi
, and
A. L.
Roytburd
,
J. Mater. Res.
19
,
2546
(
2004
).
11.
I.
Takeuchi
,
C. J.
Long
,
O. O.
Famodu
,
M.
Murakami
,
J.
Hattrick-Simpers
, and
G. W.
Rubloff
,
Rev. Sci. Instrum.
76
,
062223
(
2005
).
12.
J.
Cui
 et al,
Nat. Mater.
5
,
286
(
2006
).
13.
For more information about the visualization software, contact I. Takeuchi at takeuchi@umd.edu
14.
G.
Barr
,
W.
Dong
, and
C. J.
Gilmore
,
J. Appl. Crystallogr.
37
,
658
(
2004
).
15.
G.
Petculescu
,
K. B.
Hathaway
,
T. A.
Lograsso
,
M.
Wun-Fogle
, and
A. E.
Clark
,
J. Appl. Phys.
97
,
10M315
(
2005
).
16.
M.
Sugiyama
,
R.
Oshima
, and
F. E.
Fujita
,
Mater. Trans., JIM
25
,
585
(
1984
).
17.
T.
Fukuda
,
T.
Takeuchi
, and
T.
Kakeshita
,
Mater. Jpn.
40
,
544
(
2001
).
18.
I. T.
Jollife
,
Principal Component Analysis
(
Springer
,
New York
,
1986
).
19.
J. C.
Gower
,
Biometrika
53
,
325
(
1966
).
21.
A. D.
Gordon
,
Classification
, 2nd ed. (
Chapman and Hall, London CRC
,
Boca Raton, FL
,
1999
).
22.
A.
Belsky
,
M.
Hellenbrandt
,
V. L.
Karen
, and
P.
Luksch
,
Acta Crystallogr., Sect. B: Struct. Sci.
B58
,
364
(
2002
).
23.
NIST Standard Reference Data Program, Gaithersburg, MD 20899.
24.
Binary Alloy Phase Diagrams
, 2nd ed., edited by
T. B.
Massalki
(
ASM International
,
Ohio
,
1990
), p.
1064
.
25.
Binary Alloy Phase Diagrams
, 2nd ed., edited by
T. B.
Massalki
(
ASM International
,
Ohio
,
1990
), p.
1751
.
26.
C. J.
Gilmore
,
G.
Barr
, and
J.
Paisley
,
J. Appl. Crystallogr.
37
,
231
(
2004
).
27.
G.
Barr
,
W.
Dong
, and
C. J.
Gilmore
,
J. Appl. Crystallogr.
37
,
243
(
2004
).
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