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Electronic Structure of Ordered and Disordered Cu50Pd50 and Cu75Pd25 Alloys

Published online by Cambridge University Press:  26 February 2011

S.K. Bose ,
J. KudrnovskÝ ,
O. Jepsen  and
O.K. Andersen
S.K. Bose
Affiliation:
Max-Planck-Institut für Festkörperforschung, 7000 Stuttgart 80, West Germany
J. KudrnovskÝ
Affiliation:
Physics Department, Brock University, St. Catharines, Ontario L2S 3A1, Canada
O. Jepsen
Affiliation:
Institute of Physics, Czechoslovak Academy of Sciences, Prague, Czechoslovakia
O.K. Andersen
Affiliation:
Institute of Physics, Czechoslovak Academy of Sciences, Prague, Czechoslovakia
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Abstract

We present the electronic density of states (DOS) in ordered and disordered Cu50Pd50 and Cu75Pd25 alloys calculated by using the linear muffin-tin orbitals (LMTO) method. For ordered alloys the results are obtained via self-consistent LMTO method. We then show how the LMTO parameters for pure Cu and pure Pd can be appropriately transferred to the ordered alloy calculation to produce results in excellent agreement with the self-consistent calculation. For disordered alloys we present the electronic DOS calculated via LMTO-recursion and LMTO-CPA methods, and study the effect of the deviation from the ideal lattice structure, due to different sizes of the Cu and the Pd atoms, on the DOS of these alloys. We also discuss how the scheme of transferring parameters from the pure components to the alloy can be used in the calculation for the disordered phase.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 213: Symposium Q – High-Temperature Ordered Intermetallic Alloys IV , 1990 , 95
Copyright
Copyright © Materials Research Society 1991

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References

REFERENCES

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