COMPUTATION OF THE NORMAL AND ANOMALOUS TERMS IN THE LOWEST ORDER ANHARMONIC CONTRIBUTIONS TO THE DEBYE-WALLER FACTOR FOR SODIUM METAL

1994 ◽  
Vol 05 (02) ◽  
pp. 303-309
Author(s):  
Sajalendu Dey

It has been shown by Maradudin and Flinn1 (1963) that, in weak anharmonic crystals, the lowest order anharmonic contributions to the Debye-Waller factor are of 0(λ2), where λ is the Van Hove2 (1961) ordering parameter. There are four such terms, two of them are of [Formula: see text] (where [Formula: see text] is the scattering wave-vector) and are known as the normal terms. Other two terms are of [Formula: see text] and are known as the anomalous terms. These four terms are of significant complexity. In this present work, a computation of these four terms will be reported for sodium metal and the results will be compared with experimentally determined values.

1989 ◽  
Vol 39 (14) ◽  
pp. 10429-10429
Author(s):  
M. L. Crow ◽  
G. Schupp ◽  
W. B. Yelon ◽  
J. G. Mullen ◽  
A. Djedid

1989 ◽  
Vol 39 (2) ◽  
pp. 909-914 ◽  
Author(s):  
M. L. Crow ◽  
G. Schupp ◽  
W. B. Yelon ◽  
J. G. Mullen ◽  
A. Djedid

1980 ◽  
Vol 21 (2) ◽  
pp. 458-466 ◽  
Author(s):  
Raimundo Alexandre Tavares Lima ◽  
Constantino Tsallis

Author(s):  
T. Geipel ◽  
W. Mader ◽  
P. Pirouz

Temperature affects both elastic and inelastic scattering of electrons in a crystal. The Debye-Waller factor, B, describes the influence of temperature on the elastic scattering of electrons, whereas the imaginary part of the (complex) atomic form factor, fc = fr + ifi, describes the influence of temperature on the inelastic scattering of electrons (i.e. absorption). In HRTEM simulations, two possible ways to include absorption are: (i) an approximate method in which absorption is described by a phenomenological constant, μ, i.e. fi; - μfr, with the real part of the atomic form factor, fr, obtained from Hartree-Fock calculations, (ii) a more accurate method in which the absorptive components, fi of the atomic form factor are explicitly calculated. In this contribution, the inclusion of both the Debye-Waller factor and absorption on HRTEM images of a (Oll)-oriented GaAs crystal are presented (using the EMS software.Fig. 1 shows the the amplitudes and phases of the dominant 111 beams as a function of the specimen thickness, t, for the cases when μ = 0 (i.e. no absorption, solid line) and μ = 0.1 (with absorption, dashed line).


1989 ◽  
Vol 72 (11) ◽  
pp. 1135-1140 ◽  
Author(s):  
R.C. Shukla ◽  
H. Hübschle

1982 ◽  
Vol 45 (2) ◽  
pp. 287-298 ◽  
Author(s):  
N. Garcia ◽  
A. A. Maradudin ◽  
V. Celli

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