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EELS
Once the macroscopic dielectric function is known it is possible to
calculate the electron energy loss function (EELS).
In transmission electron energy loss spectroscopy one studies the
inelastic scattering of a beam of high energy electrons by a target.
The scattering rates obtained in these experiments is related to the
dynamical structure factor S(q,ω) [1].
In the special case with wavevector q=0, S(q,ω) is
related to the longitudinal macroscopic dielectric function.
This is the long-wave limit of EELS.
For isotropic system the dielectric function is simply a scalar (1/3 Tr
εe(ω)).
In this case the long-wave limit of the electron energy loss function
assumes the trivial form
Lim(q→0) 2π S(q,ω)/(q2V) = ε2/(ε12+ε22)
with ε1 and ε2, respectively, the real and
imaginary part of the dielectric function.
[1] S. E. Schnatterly, in Solid State Physics Vol.34, edited by H.
Ehrenreich, F. Seitz, and D. Turnbull (Academic Press, Inc., New York,
1979).
[2] P. Romaniello, and P. L. de Boeij, Phys. Rev. B (accepted).
References
The three related Ph.D. theses, due to F. Kootstra (on TD-DFT for
insulators), P. Romaniello (on TD-CDFT for metals), and A. Berger (on
the Vignale-Kohn functional in extended systems) contain much
background information, and can be downloaded from the SCM website.
The most relevant publications are
Efficient real-space approach to time-dependent density functional
theory for the dielectric response of nonmetallic crystals F.
Kootstra, P. L. de Boeij, and J. G. Snijders, J. Chem. Phys. 112, 6517
(2000).
Time-dependent current-density-functional theory for the metallic
response of solids, P. Romaniello, and P.L. de Boeij, Phys. Rev.
B71, 155108 (2005)
Analysis of the viscoelastic coefficients in the Vignale-Kohn functional: The cases of one- and three-dimensional polyacetylene
J.A. Berger, P.L. de Boeij, R. van Leeuwen, Phys. Rev B71 (15): Art. No. 155104 (2005)
A relativistic two-component formulation of time-dependent current-density functional theory: application to the linear response of solids.
P. Romaniello, P.L. de Boeij, J. Chem. Phys. (accepted) (2007)
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