Institute for Studies in Theoretical Physics and Mathematics,

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Cu2O ????? ???? ?????? ????
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Institute for Studies in Theoretical Physics
and Mathematics, And Payame Noor University
???????? 86
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Cu2O
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????? ????? HFLYP HF
4.2696 1.849 3.012 4.277 1.852 3.025 4.435 1.920 3.136 Cu-O (A?) CuCu(A?)
?? ??? ??????? ?? ?????? ??? ??????? ??????? ???
??? ?? ??? ????? ??? ?? ?? ??? ?????? ??????? s2
? p2 ?????? ???? ????? ? ???? s1 ?????? ???? ??
??? ????? ?? ???.? ??? ?? ???? ????? ???? ??? Cu
??????? s4 ? p4 ? d3 ????? ???? ????? ? ????? ??
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????? ????? ????? ??? ?? ?? ?????? (c)110 ?
(b),(a) (111)
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K????? ????????
Kki -kf
ki
kf
Impulse approximation
Dynamic structure factor
Compton profile
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European Synchrotron Radiation Facility (ESRF)
ID15 Compton scattering
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Combined experiments Compton Scattering and
X-ray diffraction
ESRF ID15
F1
Source
Monochromateur
F2
F3
Diffraction detector (MAR)
detector J(P)
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n(px,py,pz)????? ???????? ?? ???? ??????
????. J(pz) ????? ??????? ????
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ab initio calculation (self-consistency )
G reciprocal lattice vector
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K3
K
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K01
K23
K13
K1
K2
q
K
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Reciprocal form factor
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101
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Collaboration Ch. Bellin, M. Marangolo, F.
Mauri, and G. Loupias Laboratoire de Minéralogie
et de Cristallographie de Paris- CNRS-Universités
Paris VI et VII, IPGP, 4 Place Jussieu, F-75252
Paris Cedex 05-France S. Rabii Departement of
Electrical Engineering, University of
Pennsylvania, Philadelphia, Pennsylvania
19104-6390 USA Th Buslaps European Synchrotron
Radiation Facility (ESRF), BP 220,38043 Grenoble
Cedex, France 
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