A thermal diffuse X-ray scattering investigation of the lattice dynamics of caesium iodide

1970 ◽  
Vol 3 (7) ◽  
pp. 1527-1541 ◽  
Author(s):  
J E Eldridge
1977 ◽  
Vol 7 (12) ◽  
pp. 2467-2483 ◽  
Author(s):  
W Adlhart ◽  
H C Alt ◽  
G Fritsch

2013 ◽  
Vol 25 (10) ◽  
pp. 102201 ◽  
Author(s):  
Elena Borissenko ◽  
Marco Goffinet ◽  
Alexei Bosak ◽  
Pauline Rovillain ◽  
Maximilien Cazayous ◽  
...  

1999 ◽  
Vol 11 (17) ◽  
pp. 3501-3511 ◽  
Author(s):  
C Seyfert ◽  
R O Simmons ◽  
H Sinn ◽  
D A Arms ◽  
E Burkel

2008 ◽  
Vol 78 (2) ◽  
Author(s):  
Alexey Bosak ◽  
Moritz Hoesch ◽  
Daniele Antonangeli ◽  
Daniel L. Farber ◽  
Irmengard Fischer ◽  
...  

2020 ◽  
Vol 257 (6) ◽  
pp. 2000063
Author(s):  
Markus G. Herrmann ◽  
Ralf P. Stoffel ◽  
Ilya Sergueev ◽  
Hans-Christian Wille ◽  
Olaf Leupold ◽  
...  

1990 ◽  
Vol 68 (11) ◽  
pp. 1279-1290
Author(s):  
W. Mayr ◽  
G. Fritsch ◽  
E. Lüscher

We report on experimental results for the thermal diffuse X-ray-scattering cross section from Na single crystals. Data are presented for the [100], [110], and [111] directions taken in the temperature range from 38 K to the melting point. In addition we present a numerical calculation of the harmonic diffuse-scattering cross section including all orders of multiphonon contributions using a realistic phonon-dispersion relation. The results of this model are compared with a simpler approximation for the higher order multiphonon terms. The differences between the calculations and the experimental data show a distinct asymmetrical behaviour with respect to the reciprocal lattice points. Owing to this fact and their temperature dependence they can be related to anharmonic scattering. The contributions of the four lowest order terms are derived from the data. The lowest order antisymmetric contribution agrees quite well with available theoretical calculations.


One-body potential theory, which includes the effect of exchange and correlation forces, is used to calculate the change in the electron density due to small displacements of the ions. The final result contains a Dirac density matrix for the perfect crystal, the diagonal element being the exact ground state density ρ 0 ( r ). The basic quantity R ( r ) determining the electronic contribution to the dynamical matrix is such that the gradient of ρ 0 ( r ) is obtained by superposition of R ( r - l ) on each lattice site l . An integral equation is obtained which gives R ( r ) uniquely once the exchange and correlation energy is known. The Fourier transform R k of R ( r ) is given in term s of the Fourier components ρ K n of the charge density, which are known from X-ray scattering, by R K n = i ρKn K n the reciprocal lattice vectors K n . This is the same result as the rigid-ion model at the K n 's, which makes the assumption that this is true for all k . Deviations from rigid ions can be evaluated quantitatively from the integral equation obtained here. Such deviations reflect the role of many-body forces in lattice dynamics and the present theory provides a systematic basis for their calculation.


2008 ◽  
Vol 77 (22) ◽  
Author(s):  
Alexey Bosak ◽  
Karin Schmalzl ◽  
Michael Krisch ◽  
Wouter van Beek ◽  
Vitaly Kolobanov

2016 ◽  
Vol 6 (1) ◽  
Author(s):  
G. Jackson Williams ◽  
Sooheyong Lee ◽  
Donald A. Walko ◽  
Michael A. Watson ◽  
Wonhuyk Jo ◽  
...  

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