Dynamic structure of electrons in Li metal: Inelastic synchrotron x-ray scattering results and interpretation beyond the random-phase approximation

1986 ◽  
Vol 33 (10) ◽  
pp. 6744-6757 ◽  
Author(s):  
W. Schülke ◽  
H. Nagasawa ◽  
S. Mourikis ◽  
P. Lanzki
1998 ◽  
Vol 5 (3) ◽  
pp. 1052-1054 ◽  
Author(s):  
Hisashi Hayashi ◽  
Noboru Watanabe ◽  
Yasuo Udagawa

Inelastic X-ray scattering spectra of liquid water and cyclohexane have been measured with 2 eV resolution for a momentum transfer range between 0.69 and 2.77 au at BL16A of the Photon Factory, KEK, Tsukuba. Observed spectra are transformed to the dynamic structure factor which is normalized by using the Bethe sum rule, and the static structure factor is obtained. From a comparison with extended CI calculations by the use of various basis sets, correlation effects are proved to be of vital importance in inelastic X-ray scattering.


1995 ◽  
Vol 66 (2) ◽  
pp. 1578-1580 ◽  
Author(s):  
W. Schülke ◽  
A. Kaprolat ◽  
K.‐J. Gabriel ◽  
N. Schell ◽  
E. Burkel ◽  
...  

1999 ◽  
Vol 79 (11-12) ◽  
pp. 2027-2035 ◽  
Author(s):  
T. Scopigno ◽  
U. Balucani ◽  
A. Cunsolo ◽  
C. Masciovecchio ◽  
G. Ruocco ◽  
...  

1993 ◽  
Vol 48 (1-2) ◽  
pp. 283-288 ◽  
Author(s):  
A. Berthold ◽  
K.-J. Gabriel ◽  
W. Schülke

Abstract The dynamic structure factor S(q, ω) of electrons in lithium-intercalated graphite (LiC6) and potassium-intercalated graphite (KC8) for momentum transfer q || c-axis has been measured by inelastic synchrotron X-ray scattering. The dielectric function ε(q, ω) was deduced from the data and compared with ε(q, ω) of pristine graphite.The main feature in the different Im [ε(q, ω)]-spectra, a more or less intense peak around 14 eV, can be assigned to maxima of the symmetry-projected joint density of occupied and unoccupied electron states near the Fermi level. Knowing the position of the occupied bands by photoemission experiments, predictions about the unoccupied π and interlayer states can be made.In the case of LiC6 , a shift and broadening of the first Im [ε(q, ω)]-peak was found, which can be explained by a decrease of the energy of the interlayer-band because of the strong hybridization of this graphite-derived band with the Li metal 2s-band.In the case of KC8 , a weakening of the first peak of Im [ε(q, ω)] was observed, which we attribute both to a decreasing overlap of the occupied s-derived state with the empty interlayer state and to a change of symmetry of the occupied π-derived states as well as of the empty rc-derived states.


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