Debye Function
Debye Function
The functions are named in honor of Peter Debye, who came across this function (with n = 3) in 1912 when he analytically
computed the heat capacity of what is now called the Debye model.
Contents
1 Mathematical properties
1.1 Relation to other functions
1.2 Series Expansion
1.3 Limiting values
1.4 Derivative
2 Applications in solid-state physics
2.1 The Debye model
2.2 Internal energy and heat capacity
2.3 Mean squared displacement
3 References
4 Further reading
5 Implementations
Mathematical properties
Relation to other functions
Series Expansion
According to,[1]
Limiting values
For :
For : is given by the Gamma function and the Riemann zeta function:
[2]
Derivative
for
one obtains
The intensity of X-ray diffraction or neutron diffraction at wavenumber q is given by the Debye-Waller factor or the Lamb-
Mssbauer factor. For isotropic systems it takes the form
).
In this expression, the mean squared displacement refers to just once Cartesian component ux of the vector u that describes
the displacement of atoms from their equilibrium positions. Assuming harmonicity and developing into normal modes,[3]
one obtains
Inserting the density of states from the Debye model, one obtains
References
1. Abramowitz, Milton; Stegun, Irene Ann, eds. (1983) [June 1964]. "Chapter 27" (http://www.math.sfu.ca/~cbm/aands/
page_998.htm). Handbook of Mathematical Functions with Formulas, Graphs, and Mathematical Tables. Applied
Mathematics Series. 55 (Ninth reprint with additional corrections of tenth original printing with corrections
(December 1972); first ed.). Washington D.C.; New York: United States Department of Commerce, National Bureau
of Standards; Dover Publications. p. 998. ISBN 978-0-486-61272-0. LCCN 64-60036 (https://lccn.loc.gov/64-
60036). MR 0167642 (https://www.ams.org/mathscinet-getitem?mr=0167642). LCCN 65-12253 (https://lccn.loc.gov/
65012253).
2. Gradshteyn, Izrail Solomonovich; Ryzhik, Iosif Moiseevich; Geronimus, Yuri Veniaminovich; Tseytlin, Michail
Yulyevich; Jeffrey, Alan (2015) [October 2014]. "3.411.". In Zwillinger, Daniel; Moll, Victor Hugo. Table of
Integrals, Series, and Products. Translated by Scripta Technica, Inc. (8 ed.). Academic Press, Inc. pp. 355ff. ISBN 0-
12-384933-0. LCCN 2014010276 (https://lccn.loc.gov/2014010276). ISBN 978-0-12-384933-5.
3. Ashcroft & Mermin 1976, App. L,
Further reading
Abramowitz, Milton; Stegun, Irene Ann, eds. (1983) [June 1964]. "Chapter 27". Handbook of Mathematical
Functions with Formulas, Graphs, and Mathematical Tables. Applied Mathematics Series. 55 (Ninth reprint with
additional corrections of tenth original printing with corrections (December 1972); first ed.). Washington D.C.; New
York: United States Department of Commerce, National Bureau of Standards; Dover Publications. p. 998. ISBN 978-
0-486-61272-0. LCCN 64-60036. MR 0167642. LCCN 65-12253.
"Debye function" entry in MathWorld, defines the Debye functions without prefactor n/xn
Implementations
Fortran 77 code by Allan MacLeod from Transactions on Mathematical Software
Fortran 90 version
C version of the GNU Scientific Library