Abstract
Several authors have adapted the techniques of band structure calculation to analyze experimental Fermi surface data. The secular determinant that arises in a first principles band structure calculation is expressed in terms of suitably-chosen parameters, and these are adjusted to fit the data. Two alternative methods have been developed and exploited; the OPW pseudopotential method is based on the OPW secular determinant, while the phase shift method is based on the APW secular determinant. The relationship between these two methods in the analysis of experimental Fermi surface data is discussed. The APW pseudopotential form factors that describe the electronion interaction in the alkali metals are presented, and are compared with form factors derived from OPW based pseudopotentials.
This is a preview of subscription content, log in via an institution to check access.
Access this chapter
Tax calculation will be finalised at checkout
Purchases are for personal use only
Preview
Unable to display preview. Download preview PDF.
References
N. W. Ashcroft, Phil. Mag. 8, 2055 (1963).
A. O. E. Animalu, F. Bonsignori, and V. Bortolani, Nuovo Cimento 44B, 159 (1966).
N. W. Ashcroft and J. Wilkins, Phys. Lett. 14, 285 (1965).
J. P. Carbotteand R. C. Dynes, Phys. Lett. 25A, 532 (1967).
N. W. Ashcroft and L. J. Guild, Phys. Lett. 14, 23 (1965).
C. Hodges, Phil. Mag. 15, 371 (1967).
J. P. Carbotte and R. C. Dynes, Phys. Lett. 25A, 685 (1967).
For a review see M. L. Cohen and V. Heine, Solid State Physics, Vol. 24 ( Academic Press, New York, 1970 ).
N. W. Ashcroft, Phys. Rev. 140, A935 (1965).
M. J. G. Lee and L. M. Falicov, Proc. Roy. Soc. (London) A304, 319 (1968).
J. C. Phillips and L. Kleinman, Phys. Rev. 116, 287 (1959).
J. C. Kimball, R. W. Stark, and F. M. Mueller, Phys. Rev. 162, 600 (1967).
R. W. Stark and L. M. Falicov, Phys. Rev. Lett. 19, 795 (1967).
R. W. Stark and L. M. Falicov, Phys. Rev. Lett. 19, 795 (1967).
M. J. G. Lee, Phys. Rev. 178, 953 (1969).
J. J. Donaghy and A. T. Stewart, Phys. Rev. 164, 391 (1967).
M. J. G. Lee, Proc. Roy. Soc. (London) A295, 440 (1966).
D. Shoenberg and P. J. Stiles, Proc. Roy. Soc. (London) A281, 62 (1964).
K. Okumura and I. M. Templeton, Proc. Roy. Soc. (London) A287, 89 (1965).
J. M. Ziman, Adv. Phys. 13, 89 (1964).
W. A. Harrison, Pseudopotentials in the Theory of Metals (W. A. Benjamin Inc., New York, 1966 ).
Ibid., p. 31.
Ibid, p. 288.
J. C. Slater, Phys. Rev. 51, 846 (1937); 92, 603 (1953).
R. W. Shaw and W. A. Harrison, Phys. Rev. J 63, 604 (1967).
R. W. Shaw, Phys. Rev. 174, 769 (1968).
W. A. Harrison, Phys. Rev. 131, 2433 (1963).
A. O. E. Animalu and V. Heine, Phil. Mag. 12, 1249 (1965); see also reference 21, p. 310.
J. Callaway, Phys. Rev. 103, 1219 (1956); L. C. Allen, Quarterly Report of the Solid State and Molecular Theory Group, MIT, October 1958, p. 45; F. S. Ham, Phys. Rev. 128, 82 (1962); J. F. Kenney (private communication).
C.J. Powell (to be published).
N. V. Smith (to be published).
M. H. Cohen and V. Heine, Adv. Phys. 7, 395 (1958).
Author information
Authors and Affiliations
Editor information
Editors and Affiliations
Rights and permissions
Copyright information
© 1971 Plenum Press, New York
About this chapter
Cite this chapter
Lee, M.J.G. (1971). APW Pseudopotential Form Factors for the Alkali Metals. In: Marcus, P.M., Janak, J.F., Williams, A.R. (eds) Computational Methods in Band Theory. The IBM Research Symposia Series. Springer, Boston, MA. https://doi.org/10.1007/978-1-4684-1890-3_7
Download citation
DOI: https://doi.org/10.1007/978-1-4684-1890-3_7
Publisher Name: Springer, Boston, MA
Print ISBN: 978-1-4684-1892-7
Online ISBN: 978-1-4684-1890-3
eBook Packages: Springer Book Archive