Fluctuations in Density Functional Theory: Random Metallic Alloys and Itinerant Paramagnets
Multicomponent metallic systems frequently form random solid solutions. In this interesting state of condensed matter, on the average, atoms occupy a regular array of lattice sites but the nature of the atom on a specific site remains a more or less random variable. If the temperature is lowered the system will either order by making the site occupancies a regular sequence as in intermetallic compounds, or phase separate . Towards higher temperatures in the phase diagram the solid solution field is bounded by the melting curve across which the averaged lattice symmetry is lost. As in the cases of other solids the strange properties of random solid solutions are governed by the electron glue that binds the nuclei together. In what follows we shall be concerned with the current state of the theory which aims to describe this degenerate Fermi System using the Density Functional (DT) approach. As it turns out, this problem is of general interest since it is the simplest quantum mechanical example where explicit random fluctuations have been incorporated into Density Functional Theory.
KeywordsDensity Functional Theory Local Density Approximation Paramagnetic State Local Moment Coherent Potential Approximation
Unable to display preview. Download preview PDF.
- 1.F. Ducastelle “Order and Phase Stability in Alloys” (North Holland Amsterdam 1991).Google Scholar
- 2.R.M. Dreizler and E.K.U. Gross “Density functional Theory” (Springer-Verlag 1990).Google Scholar
- 3.T. Moriya “Spin Fluctuations in Itinerant Ferromagnets” (Springer-Verlag 1985).Google Scholar
- 4.D.J. Amit “Field Theory, the renormalization group and critical Phenomenon” (Mc Graw-Hill, New York 1978).Google Scholar
- 5.J.W. Negele and H. Orlando “Quantum Many-Particle Systems” (Addison-Wesley, 1988).Google Scholar
- 6.A. Gonis “Green Functions for Ordered and Disordered systems” (North-Holland, 1992).Google Scholar
- 8.B.L. Gyorffy and G.M. Stocks in “Electrons in Disordered Metals and at Metallic Surfaces” (ed. P. Phariseau, B.L. Gyorffy and L. Scheire) NATO ASI Series, Physics B42 (Plenum Press 1979).Google Scholar
- 10.G.M. Stocks and H. Winter, Z. Phys. B46, 864 (1982).Google Scholar
- 14.V.L. Moruzzi, J.F. Janak and A.R. Williams, “Calculated Electronic Properties of Metals (Pergamon, New York 1978).Google Scholar
- 16.D.D. Johnson, I.B. Staunton and F.J. Pinski, Phys. Rev. B (to be published). 17. R. G. Jordan, Yan Liu, S.L. Qill, G.M. Stocks, W.A. Shelton, B. Ginatemp. Acta Metalurgica (to be published).Google Scholar
- 19.C. Herring “Magnetism” IV editors. G.T. Rado and H. Suhl (Academic Press 1966).Google Scholar
- 20.J. Hubbard, Phys. Rev. B20, 4584.Google Scholar