Skip to main content Accessibility help

Electronic Structure of Ordered and Disordered Cu50Pd50 and Cu75Pd25 Alloys

  • S.K. Bose (a1), J. KudrnovskÝ (a2), O. Jepsen (a3) and O.K. Andersen (a3)


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.



Hide All
1. Kudrnovský, J. and Drchal, V., Solid State Comm. 70, 577 (1989).
2. Stefanou, N., Zeller, R. and Dederichs, P.H., Solid State Comm. 62, 735 (1987).
3. Weightman, P., Wright, H., Waddington, S.D., van der Marel, D., Sawatzky, G.A., Diakun, G.P. and Norman, D., Phys. Rev. B 36 9098 (1987); and references therein.
4. Andersen, O.K., Jepsen, O., and Glotzel, D., in Proceedings of the International School “Enrico Fermi”. Course 86, 59 (1985).
5. Andersen, O.K., Jepsen, O. and Šob, M., in Electronic Structure and Its Applications, edited by Yussouff, M. (Springer, Berlin, 1987), p. 1.
6. Bose, S.K., Winer, K. and Andersen, O.K., Phys. Rev. B 37 6262 (1988);
6a. Bose, S.K., Jaswal, S.S., Andersen, O.K. and Hafner, J.,Phys. Rev. B, 9955 (1988).
7. Haydock, R. in Solid State Physics 35. edited by Seitz, F. and Turnbull, D. (Academic, New York, 1980), p. 215.
8. Structure and data of elements and Intermetallic phases, edited by Hellwege, K.-H. and Hellwege, A.M. (Springer, Berlin, 1971), p. 511.
9. Bose, S.K., Kudrnovský, J., Jepsen, O. and Andersen, O.K., this volume.
10. Bose, S.K., Kudrnovský, J., Jepsen, O. and Andersen, O.K., Phys. Rev. B, to be published.


Full text views

Total number of HTML views: 0
Total number of PDF views: 0 *
Loading metrics...

Abstract views

Total abstract views: 0 *
Loading metrics...

* Views captured on Cambridge Core between <date>. This data will be updated every 24 hours.

Usage data cannot currently be displayed